SCHEMBL4837741

SCHEMBL4837741

COc1cccc(C(=O)Nc2cccc(C(=O)C=C3NC(C)(C)Cc4ccc(OC)cc43)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 4/20 0.51
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NLRP3 Q96P20 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL4837732 1.00 RAB9A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4844272 0.96 RXFP1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4844284 0.96 RXFP1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4843849 0.95 KMT2A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4843839 0.95 KMT2A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4839736 0.94 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4839725 0.94 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4838274 0.94 NPC1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4838287 0.94 NPC1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4844824 0.94 KCNK3 (0.53) RAB9ANPC1ALDH1A1SMN1; 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 RAB9A 2220/4885NPC1 985/4885ALDH1A1 2636/4885

“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.