SCHEMBL5565587

SCHEMBL5565587

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)C(C(N)=O)c2ccc(C)cc2)cc(OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
EPHX2 P34913 1/20 0.35
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PDE10A Q9Y233 2/20 0.35
PRSS1 P07477 1/20 0.35
THRB P10828 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
SCHEMBL5567712 0.91 MAPT (0.40) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5563118 0.87 ALDH1A1 (0.45) MAPTTP53SMN1; SMN2
SCHEMBL5565416 0.86 EPHX2 (0.41) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5563618 0.84 SMN1; SMN2 (0.38) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5568074 0.84 MAPT (0.40) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5568598 0.84 MEN1 (0.49) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5569461 0.83 KMT2A (0.36) RXFP1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5565590 0.80 ALDH1A1 (0.42) RXFP1MEN1KMT2APPARGPPARD
SCHEMBL5567643 0.78 MEN1 (0.53) RXFP1MEN1KMT2AMAPTTP53
SCHEMBL5567364 0.76 RXFP1 (0.49) RXFP1MEN1KMT2APPARDPPARA

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 RXFP1 2808/4885MEN1 1479/4885KMT2A 712/4885

“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.