SCHEMBL5565416

SCHEMBL5565416

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)C(C(N)=O)c2ccccc2C)cc(OC)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
MAPK10 P53779 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5565587 0.86 RXFP1 (0.40) EPHX2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5568074 0.86 MAPT (0.40) EPHX2MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL5567712 0.86 MAPT (0.40) EPHX2MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL5563118 0.84 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1POLBROCK2
SCHEMBL5563618 0.83 SMN1; SMN2 (0.38) MAPTSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL5568598 0.82 MEN1 (0.49) EPHX2MAPTSMN1; SMN2ALDH1A1HDAC1
SCHEMBL5569461 0.82 KMT2A (0.36) EPHX2MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL5565420 0.79 KDM4E (0.41) EPHX2MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL5568367 0.78 PPARG (0.44) EPHX2MAPTSMN1; SMN2ALDH1A1HDAC1
SCHEMBL5563314 0.77 MAPT (0.42) EPHX2MAPTSMN1; SMN2ALDH1A1HDAC1

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 2 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
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

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

“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.