SCHEMBL4835780

SCHEMBL4835780

COc1ccc2c(c1)C(=CC(=O)c1cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 2/20 0.45
MAPT P10636 7/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.41
MCL1 Q07820 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4835770 1.00 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AHTTMAPTKMT2A
SCHEMBL4846281 0.94 MEN1 (0.45) SMN1; SMN2RAB9AHTTMAPTKMT2A
SCHEMBL4846286 0.94 MEN1 (0.45) SMN1; SMN2RAB9AHTTMAPTKMT2A
SCHEMBL4842580 0.92 MAPT (0.48) SMN1; SMN2RAB9AHTTMAPTKMT2A
SCHEMBL4842567 0.92 MAPT (0.48) SMN1; SMN2RAB9AHTTMAPTKMT2A
SCHEMBL4842240 0.90 MAPT (0.54) SMN1; SMN2RAB9AHTTMAPTKMT2A
SCHEMBL4842248 0.90 MAPT (0.54) SMN1; SMN2RAB9AHTTMAPTKMT2A
SCHEMBL4840829 0.89 KMT2A (0.46) SMN1; SMN2RAB9AMAPTKMT2AALDH1A1
SCHEMBL4838226 0.89 MAPT (0.54) SMN1; SMN2RAB9AMAPTKMT2AALDH1A1
SCHEMBL4840820 0.89 KMT2A (0.46) SMN1; SMN2RAB9AMAPTKMT2AALDH1A1

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 SMN1; SMN2 144/4885RAB9A 2220/4885HTT 2525/4885

“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.