SCHEMBL3528149

SCHEMBL3528149

N#Cc1ccc(C(=O)Nc2[c]cc(O)c(-c3ccc(Cl)cn3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.46
S1PR4 O95977 1/20 0.46
TMPRSS4 Q9NRS4 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F10 P00742 3/20 0.42
DEGS1 O15121 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL5656720 0.87 RAB9A (0.44) S1PR3S1PR4MEN1KMT2AF10
SCHEMBL28265311 0.73 RAB9A (0.68) TMPRSS4MEN1KMT2AF10DEGS1
SCHEMBL7247994 0.71 F10 (0.46) S1PR3S1PR4MEN1KMT2AF10
SCHEMBL890676 0.69 F10 (0.74) F10
SCHEMBL890632 0.67 F10 (0.71) TMPRSS4F10DEGS1
SCHEMBL6712653 0.67 F10 (0.61) TMPRSS4MEN1KMT2AF10DEGS1
SCHEMBL890619 0.65 F10 (0.72) F10
SCHEMBL6712654 0.64 F10 (0.72) F10TP53RAB9ASMN1; SMN2
SCHEMBL6713951 0.64 F10 (0.69) F10
SCHEMBL799832 0.64 F10 (0.72) F10TP53TSHRNFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1391555-A Benzamides and related inhibitors of factor Xa COR THERAPEUTICS INC (US) 2003-01-15 CN claimed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP claimed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO claimed
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-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
EP-1259485-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-11-27 EP disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO 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 (2 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 S1PR3 2753/4885S1PR4 3163/4885TMPRSS4 276/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 S1PR3 2625/4885S1PR4 3059/4885TMPRSS4 217/4885

“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.