SCHEMBL4929476

SCHEMBL4929476

O=C(O)c1nn(-c2ccc(Cl)cc2)c2c1C1CCC2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
HIF1A Q16665 1/20 0.45
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RPA1 P27694 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PPARA Q07869 1/20 0.40
PPP1CA P62136 1/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4934207 0.92 CYP1A2 (0.43) CYP1A2HIF1APTGS2SMN1; SMN2MEN1
SCHEMBL4934205 0.92 CYP1A2 (0.43) CYP1A2HIF1APTGS2SMN1; SMN2MEN1
SCHEMBL1432255 0.92 CYP1A2 (0.43) CYP1A2HIF1APTGS2SMN1; SMN2MEN1
SCHEMBL4934058 0.86 SMN1; SMN2 (0.55) PTGS2SMN1; SMN2MEN1KMT2AKEAP1
SCHEMBL4933471 0.83 ATM (0.43) SMN1; SMN2KEAP1NFE2L2ATMNOTUM
SCHEMBL4933764 0.81 KMT2A (0.52) SMN1; SMN2MEN1KMT2ANPSR1HPGD
SCHEMBL4925543 0.81 CNR2 (0.53) MEN1KMT2ANPSR1USP2HPGD
SCHEMBL1431678 0.79 KEAP1 (0.49) SMN1; SMN2HPGDKEAP1NFE2L2KDM4E
SCHEMBL4927251 0.78 PPARA (0.41) SMN1; SMN2KEAP1NFE2L2PPARACA1
SCHEMBL4929226 0.78 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AKEAP1NFE2L2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 CYP1A2 3110/4885HIF1A 1318/4885PTGS2 1514/4885

“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.