SCHEMBL5528856

SCHEMBL5528856

C#Cc1ccc(NC(=O)c2cc(C#C)ccc2NC(=O)c2ccc(N=CN3CCC(C(=O)O)CC3)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
F10 P00742 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GPR27 Q9NS67 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
SNCA P37840 1/20 0.32
NR3C1 P04150 1/20 0.32
TP53 P04637 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL5533872 0.94 F10 (0.45) ALDH1A1F10SMN1; SMN2GPR27L3MBTL1
SCHEMBL5532105 0.92 F10 (0.47) F10
SCHEMBL5532599 0.91 F10 (0.40) ALDH1A1F10SMN1; SMN2RXFP1L3MBTL1
SCHEMBL5532603 0.91 F10 (0.40) ALDH1A1F10SMN1; SMN2RXFP1L3MBTL1
SCHEMBL5535057 0.90 F10 (0.35) ALDH1A1F10SMN1; SMN2RXFP1GPR27
SCHEMBL5533868 0.89 F10 (0.45) ALDH1A1F10RXFP1MAPTLMNA
SCHEMBL5531794 0.88 KMT2A (0.43) F10SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5531795 0.88 KMT2A (0.43) F10SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5534025 0.86 F10 (0.44) ALDH1A1F10SMN1; SMN2GPR27L3MBTL1
SCHEMBL5538276 0.85 F10 (0.51) F10SMN1; SMN2

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 8 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
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-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 2162/4885F10 10/4885SMN1; SMN2 2492/4885

“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.