SCHEMBL5658476

SCHEMBL5658476

O=C(NCc1csc(-c2cccs2)n1)Nc1cccc2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.57
TRPV1 Q8NER1 14/20 0.56
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 2/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL5659569 0.86 TRPV1 (0.62) TRPV1
SCHEMBL5660162 0.80 TRPV1 (0.62) KDM4ETRPV1
SCHEMBL5658434 0.75 TRPV1 (0.58) TRPV1
SCHEMBL5658495 0.75 TRPV1 (0.58) TRPV1
SCHEMBL5658270 0.75 TRPV1 (0.80) KDM4ETRPV1
SCHEMBL5660097 0.73 TRPV1 (0.71) TRPV1
SCHEMBL5659113 0.73 TRPV1 (0.69) TRPV1
SCHEMBL4024761 0.73 TRPV1 (0.74) KDM4EMAPTTRPV1
SCHEMBL4024915 0.72 TRPV1 (0.79) TRPV1
SCHEMBL4019935 0.72 TRPV1 (1.00) TRPV1

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 KDM4E 3121/4885MAPT 4195/4885ALDH1A1 1267/4885

“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.