SCHEMBL10143566

SCHEMBL10143566

COc1cccc(C(=N)ON)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.68
▸ PRSS2 P07478 1/20 0.68
▸ PRSS3 P35030 1/20 0.68
▸ PARP1 P09874 1/20 0.58
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ ACHE P22303 1/20 0.48
▸ F2 P00734 1/20 0.48
▸ F10 P00742 1/20 0.48
▸ STS P08842 1/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
Hydrochloric Acid SCHEMBL1825446 0.83 PRSS1 (0.65) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL428920 0.81 PRSS1 (1.00) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL26474021 0.80 PRSS1 (0.61) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL5504569 0.80 PRSS1 (0.61) PRSS1PRSS2PRSS3PARP1CES2
Hydrochloric Acid SCHEMBL23541004 0.79 PRSS1 (0.96) PRSS1PRSS2PRSS3PARP1CES2
Hydrochloric Acid SCHEMBL28548914 0.79 PRSS1 (0.96) PRSS1PRSS2PRSS3PARP1CES2
Hydrochloric Acid SCHEMBL427173 0.79 PRSS1 (0.96) PRSS1PRSS2PRSS3PARP1CES2
Hydrochloric Acid SCHEMBL2458653 0.79 PRSS1 (0.59) PRSS1PRSS2PRSS3PARP1CES2
SCHEMBL10143036 0.79 PARP1 (0.53) PARP1RAB9AACHESMN1; SMN2MEN1
SCHEMBL4971524 0.79 PRSS1 (0.69) PRSS1PRSS2PRSS3PARP1CES2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 — — 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-7727982-B2 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. (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-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

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

For each of this compound's patents that has machine-readable text (7 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 PRSS1 36/4885PRSS2 38/4885PRSS3 47/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PRSS1 29/4885PRSS2 47/4885PRSS3 88/4885

“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.

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