SCHEMBL10177896

SCHEMBL10177896

COc1cc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Br)cn2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.64
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.46
KLKB1 P03952 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
ABCB1 P08183 2/20 0.42
KLK1 P06870 1/20 0.42
MAPT P10636 1/20 0.42
ABCC1 P33527 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL890631 0.89 F10 (0.68) F10NPC1RAB9AKLKB1
SCHEMBL10181388 0.88 F10 (0.66) F10NPC1RAB9AKLKB1RXFP1
SCHEMBL890529 0.88 F10 (0.55) F10NPC1RAB9AMITFRXFP1
SCHEMBL13038376 0.86 F10 (0.71) F10KLKB1KLK1
SCHEMBL10180814 0.85 F10 (0.87) F10KLKB1
SCHEMBL890828 0.85 F10 (0.70) F10KLKB1RXFP1KLK1
SCHEMBL10181396 0.85 F10 (0.62) F10
SCHEMBL10178007 0.85 F10 (0.80) F10NPC1RAB9AKLK1
SCHEMBL10181646 0.84 F10 (0.68) F10KLKB1RXFP1KLK1
SCHEMBL16362180 0.83 F10 (0.59) F10NPC1RAB9AKLKB1RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS F10 19/4885NPC1 2404/4885RAB9A 1961/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885NPC1 2184/4885RAB9A 2674/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885NPC1 2184/4885RAB9A 2674/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885NPC1 2184/4885RAB9A 2674/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885NPC1 2184/4885RAB9A 2674/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885NPC1 2184/4885RAB9A 2674/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG F10 18/4885NPC1 2212/4885RAB9A 3087/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 F10 13/4885NPC1 2184/4885RAB9A 2674/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.