SCHEMBL4840982

SCHEMBL4840982

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)COc3ccccc3)c1)NC(C)(C)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.47
IMPDH2 P12268 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 2/20 0.44
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 2/20 0.44
HAVCR2 Q8TDQ0 1/20 0.44
SGMS1 Q86VZ5 1/20 0.44

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
SCHEMBL4840989 1.00 NPC1 (0.53) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4874808 0.94 ALDH1A1 (0.49) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4874816 0.94 ALDH1A1 (0.49) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4835162 0.92 NPC1 (0.48) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4835182 0.92 NPC1 (0.48) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4837848 0.92 ALDH1A1 (0.45) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4837826 0.92 ALDH1A1 (0.45) NPC1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL4839240 0.90 ALDH1A1 (0.40) NPC1HPGDALDH1A1MAPTGAA
SCHEMBL4839227 0.90 ALDH1A1 (0.40) NPC1HPGDALDH1A1MAPTGAA
SCHEMBL4839782 0.89 USP2 (0.52) NPC1ALDH1A1MAPTSMN1; SMN2RAB9A

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 NPC1 985/4885HPGD 1185/4885ALDH1A1 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.