SCHEMBL5563118

SCHEMBL5563118

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)C(C(N)=O)c2cccnc2)cc(OC)c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
CYP2C19 P33261 2/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
POLB P06746 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
SCHEMBL5567712 0.88 MAPT (0.40) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL5565587 0.87 RXFP1 (0.40) TP53MAPTSMN1; SMN2
SCHEMBL5568074 0.85 MAPT (0.40) ALDH1A1L3MBTL1USP2NPSR1CYP1A2
SCHEMBL5569461 0.84 KMT2A (0.36) ALDH1A1L3MBTL1USP2NPSR1CYP3A4
SCHEMBL5565416 0.84 EPHX2 (0.41) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5563618 0.83 SMN1; SMN2 (0.38) ALDH1A1L3MBTL1USP2NPSR1MAPT
SCHEMBL5563126 0.80 NOTUM (0.48) ALDH1A1L3MBTL1USP2NPSR1TP53
SCHEMBL5568598 0.80 MEN1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL5568367 0.74 PPARG (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL5567643 0.74 MEN1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US claimed
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP claimed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US claimed
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 WO claimed

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-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 ALDH1A1 3998/4885L3MBTL1 3636/4885USP2 3330/4885

“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.