SCHEMBL5532863

SCHEMBL5532863

C#Cc1ccc(NC(=O)c2cccc(OC)c2N(C=O)c2ccc(C=NN(C)C)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
MAPT P10636 5/20 0.37
POLB P06746 3/20 0.37
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
PDE2A O00408 1/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HDAC3 O15379 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL5533954 0.89 NPC1 (0.37) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL5531871 0.87 MAPT (0.44) ALDH1A1MAPTPOLBKLK1KLK5
SCHEMBL5528410 0.85 F10 (0.37) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL5533116 0.84 F10 (0.35) ALDH1A1MAPTPOLBSMN1; SMN2MAPK1
SCHEMBL5534354 0.81 F10 (0.44) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL5539465 0.81 NPC1 (0.34) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL5530436 0.80 F10 (0.34) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL5530280 0.79 F10 (0.40) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5535752 0.77 F10 (0.32)
SCHEMBL5532201 0.77 RAB9A (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2TP53

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
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP claimed
US-20030069250-A1 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 US claimed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP disclosed
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
US-20030069250-A1 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 US disclosed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 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 (1 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-20030069250-A1 Benzamide inhibitors of factor Xa SERPINC1, TFPI, F12 ALDH1A1 2162/4885MAPT 4623/4885POLB 1818/4885

“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.