SCHEMBL260799

SCHEMBL260799

c1cc(CN[C@H]2CN3CCC2CC3)c2ncsc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP1 P09874 1/20 0.39
CHRNA7 P36544 4/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR3E A5X5Y0 2/20 0.36
HTR3B O95264 2/20 0.36
HTR3A P46098 2/20 0.36
HTR3D Q70Z44 2/20 0.36
HTR3C Q8WXA8 2/20 0.36
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
SCHEMBL261864 1.00 GAA (0.54) GAASMN1; SMN2MEN1KMT2APARP1
SCHEMBL260675 1.00 GAA (0.54) GAASMN1; SMN2MEN1KMT2APARP1
SCHEMBL260948 0.81 GAA (0.54) GAASMN1; SMN2MEN1KMT2APARP1
SCHEMBL262281 0.81 GAA (0.54) GAASMN1; SMN2MEN1KMT2APARP1
SCHEMBL262244 0.81 GAA (0.54) GAASMN1; SMN2MEN1KMT2APARP1
SCHEMBL263523 0.76 GAA (0.54) GAASMN1; SMN2MEN1KMT2APARP1
SCHEMBL262855 0.74 HTR3A (0.58) HTR3A
SCHEMBL2134630 0.74 HTR3A (0.58) HTR3A
SCHEMBL2132754 0.74 HTR3A (0.58) HTR3A
SCHEMBL260801 0.74 GAA (0.53) GAASMN1; SMN2MEN1KMT2ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2012-04-26 US claimed
US-8134003-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-03-13 US claimed
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-09-01 US claimed
EP-2305675-A1 Indazoles, Benzothiazoles, and Benzoisothiazoles, and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-04-06 EP claimed
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-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
EP-2305675-A1 Indazoles, Benzothiazoles, and Benzoisothiazoles, and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-04-06 EP 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
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2004-07-08 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 (6 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 GAA 2109/4885SMN1; SMN2 1803/4885MEN1 4326/4885
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof CHRNA5, CHRNA7, CHRNA3 GAA 2290/4885SMN1; SMN2 1904/4885MEN1 4189/4885
US-20090209579-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 GAA 2109/4885SMN1; SMN2 1803/4885MEN1 4326/4885
US-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 GAA 2109/4885SMN1; SMN2 1803/4885MEN1 4326/4885
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 GAA 2109/4885SMN1; SMN2 1803/4885MEN1 4326/4885
US-20080176890-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 GAA 2109/4885SMN1; SMN2 1803/4885MEN1 4326/4885

“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.