SCHEMBL10180697

SCHEMBL10180697

CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.76
MAPT P10636 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TSHR P16473 1/20 0.56
NT5E P21589 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 1/20 0.55
KCNH2 Q12809 1/20 0.55
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51

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
SCHEMBL10179708 0.87 F10 (0.79) F10KCNH2
SCHEMBL10178335 0.87 F10 (1.00) F10KCNH2
SCHEMBL13348771 0.86 RAB9A (0.71) F10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12132384 0.83 F10 (0.76) F10KCNH2
SCHEMBL12133111 0.83 F10 (0.83) F10KCNH2
SCHEMBL10181028 0.83 F10 (0.63) F10KCNH2
SCHEMBL10939703 0.83 NPC1 (0.76) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL9767723 0.83 NPC1 (0.76) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL611657 0.83 NPC1 (0.76) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL10179019 0.82 F10 (0.77) F10KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (3 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 19/4885MAPT 2726/4885HSD17B10 3453/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885MAPT 4514/4885HSD17B10 3314/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885MAPT 4514/4885HSD17B10 3314/4885

“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.