SCHEMBL5568074

SCHEMBL5568074

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)C(C(N)=O)c2ccccn2)cc(OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.38
F10 P00742 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
HTT P42858 1/20 0.36
KLKB1 P03952 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL5569461 0.90 KMT2A (0.36) MAPTSMN1; SMN2EPHX2F10POLB
SCHEMBL5565416 0.86 EPHX2 (0.41) MAPTSMN1; SMN2EPHX2POLBMEN1
SCHEMBL5563618 0.85 SMN1; SMN2 (0.38) MAPTSMN1; SMN2F10POLBMEN1
SCHEMBL5563118 0.85 ALDH1A1 (0.45) MAPTSMN1; SMN2POLBROCK2ROCK1
SCHEMBL5565587 0.84 RXFP1 (0.40) MAPTSMN1; SMN2EPHX2F10MEN1
SCHEMBL5567712 0.84 MAPT (0.40) MAPTSMN1; SMN2EPHX2F10POLB
SCHEMBL5568598 0.81 MEN1 (0.49) MAPTSMN1; SMN2EPHX2F10POLB
SCHEMBL5568085 0.80 NPC1 (0.42) MAPTSMN1; SMN2F10POLBMEN1
SCHEMBL5568367 0.76 PPARG (0.44) MAPTSMN1; SMN2EPHX2F10POLB
SCHEMBL5563314 0.75 MAPT (0.42) MAPTSMN1; SMN2EPHX2F10POLB

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 MAPT 4008/4885SMN1; SMN2 2712/4885EPHX2 1093/4885

“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.