SCHEMBL263545

SCHEMBL263545

O=C(Nc1cccc2scnc12)C1CN2CCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PKLR P30613 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL263518 0.82 GAA (0.43) GAAATMALDH1A1CHRM2CHRM1
SCHEMBL14066347 0.77 GAA (0.40) GAAATMALDH1A1CHRM2CHRM1
SCHEMBL263699 0.76 CHRM5 (0.56)
SCHEMBL259751 0.76 CHRM5 (0.56)
SCHEMBL263519 0.76 CHRM5 (0.58)
SCHEMBL261087 0.74 EGFR (0.36) TRPV1PKLRCHRM2CHRM1CHRM3
SCHEMBL260202 0.74 EGFR (0.36) TRPV1PKLRCHRM2CHRM1CHRM3
SCHEMBL260279 0.74 EGFR (0.36) TRPV1PKLRCHRM2CHRM1CHRM3
SCHEMBL30410548 0.73 NOTUM (0.40) TRPV1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL29755060 0.73 L3MBTL1 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252811-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-08-28 US disclosed
US-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2012-04-26 US disclosed
US-8134003-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-03-13 US disclosed
US-8134003-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-03-13 US disclosed
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-09-01 US disclosed
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-09-01 US disclosed
US-7943773-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-05-17 US disclosed
US-20090209579-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-08-20 US disclosed
US-20080176890-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2008-07-24 US disclosed
US-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2008-06-26 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 (5 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-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 TRPV1 339/4885GAA 2109/4885ATM 1948/4885
US-20090209579-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 TRPV1 339/4885GAA 2109/4885ATM 1948/4885
US-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 TRPV1 339/4885GAA 2109/4885ATM 1948/4885
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 TRPV1 339/4885GAA 2109/4885ATM 1948/4885
US-20080176890-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 TRPV1 339/4885GAA 2109/4885ATM 1948/4885

“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.