SCHEMBL4843695

SCHEMBL4843695

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(C(=O)Nc3ccc(O)cc3)c1)NC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.52
PGR P06401 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4843715 1.00 AR (0.52) ARPGRNPC1RAB9ASMN1; SMN2
SCHEMBL4847114 0.95 NPC1 (0.46) ARPGRNPC1RAB9ASMN1; SMN2
SCHEMBL4847130 0.95 NPC1 (0.46) ARPGRNPC1RAB9ASMN1; SMN2
SCHEMBL4839578 0.93 NPC1 (0.51) PGRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4839595 0.93 NPC1 (0.51) PGRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4842509 0.92 RXFP1 (0.47) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4842520 0.92 RXFP1 (0.47) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4837859 0.92 AR (0.44) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4837842 0.92 AR (0.44) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4837807 0.91 KMT2A (0.51) ARNPC1RAB9ASMN1; SMN2TP53

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 AR 858/4885PGR 589/4885NPC1 985/4885

“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.