SCHEMBL6832450

SCHEMBL6832450

CC(C)(C)c1cc(/C=C/c2ccc(N)cc2)cc(-c2ncc[nH]c2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.34
NQO2 P16083 2/20 0.33
TRPV1 Q8NER1 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM1A O60341 1/20 0.31
IP6K1 Q92551 1/20 0.30

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
SCHEMBL3244250 0.84 CYP3A4 (0.49) TRPV1MEN1KMT2ACYP3A4
SCHEMBL3244247 0.84 CYP3A4 (0.49) TRPV1MEN1KMT2ACYP3A4
SCHEMBL6832562 0.80 KDM1A (0.35) CYP19A1TRPV1MEN1NPC1MAPT
SCHEMBL10134577 0.78 CYP3A4 (0.51) CYP19A1NQO2MEN1NPC1MAPT
SCHEMBL6832594 0.77 CYP19A1 (0.36) CYP19A1NQO2TRPV1MEN1NPC1
SCHEMBL5065601 0.72 PDE3B (0.47) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL6832606 0.68 PTGS1 (0.33) CYP19A1KDM1A
SCHEMBL2489133 0.67 CYP3A4 (0.49) TRPV1CYP3A4
SCHEMBL6832550 0.67 GPR84 (0.34) CYP19A1CYP3A4
SCHEMBL1543237 0.65 CYP3A4 (0.68) TRPV1CYP3A4

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-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CYP19A1 776/4885NQO2 269/4885TRPV1 4760/4885

“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.