SCHEMBL5529583

SCHEMBL5529583

C=Cc1ccc(NC(=O)c2cc(Cl)ccc2N(C=O)c2ccc(C=NN(C)CC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
AHR P35869 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
P2RX1 P51575 2/20 0.35
F10 P00742 3/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
F2 P00734 2/20 0.33
MEN1 O00255 1/20 0.33
GPR27 Q9NS67 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5540990 0.93 ALDH1A1 (0.39) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL5534188 0.91 NPC1 (0.39) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL6841560 0.91 POLB (0.42) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL5527895 0.90 NPC1 (0.42) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL5532923 0.90 NPC1 (0.38) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL5536642 0.89 F10 (0.41) F10
SCHEMBL5534028 0.86 ALDH1A1 (0.37) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL5549858 0.82 F10 (0.38) F10
SCHEMBL5538464 0.81 F10 (0.42) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL5528201 0.80 F10 (0.46) ALDH1A1MAPTGAAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP claimed
US-20030069250-A1 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 US claimed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO 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

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 4623/4885GAA 105/4885

“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.