SCHEMBL4934058

SCHEMBL4934058

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 3/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.38
NOTUM Q6P988 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
PTGS2 P35354 1/20 0.37

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
SCHEMBL1431859 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ACNR2CNR1KEAP1
SCHEMBL4929476 0.86 CYP1A2 (0.45) SMN1; SMN2KMT2ACNR2CNR1KEAP1
SCHEMBL4933471 0.85 ATM (0.43) SMN1; SMN2CNR2CNR1KEAP1NFE2L2
SCHEMBL1432003 0.82 CNR2 (0.62) SMN1; SMN2CNR2CNR1
SCHEMBL4930729 0.81 CNR2 (0.64) SMN1; SMN2KMT2ACNR2CNR1MEN1
SCHEMBL4935540 0.81 NPC1 (0.51) KMT2AMEN1LMNACA1CA2
SCHEMBL1431678 0.79 KEAP1 (0.49) SMN1; SMN2CNR2CNR1KEAP1NFE2L2
SCHEMBL4934332 0.78 CNR2 (0.47) SMN1; SMN2KMT2ACNR2CNR1KEAP1
SCHEMBL1432255 0.78 CYP1A2 (0.43) SMN1; SMN2KMT2ACNR2CNR1KEAP1
SCHEMBL4927251 0.78 PPARA (0.41) SMN1; SMN2CNR2CNR1KEAP1NFE2L2

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 SMN1; SMN2 893/4885KMT2A 2331/4885CNR2 1/4885

“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.