SCHEMBL263558

SCHEMBL263558

c1ccc2c(CNC3CN4CCC3CC4)nsc2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNA7 P36544 9/20 0.43
ACHE P22303 1/20 0.43
HTR3A P46098 5/20 0.41
PARP1 P09874 1/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40

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
SCHEMBL280578 1.00 GAA (0.51) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL261861 0.78 CHRNA7 (0.58) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL259755 0.78 CHRNA7 (0.58) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL261274 0.78 CHRNA7 (0.58) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL263523 0.77 GAA (0.54) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL10225160 0.75 ACHE (0.55) ACHEHTR3A
SCHEMBL12043825 0.73 ACHE (0.42) CHRNA7ACHEHTR3A
SCHEMBL3932594 0.73 GAA (0.70) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL10225130 0.72 ACHE (0.41) GAACHRNA7ACHE
SCHEMBL262841 0.72 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 9 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-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-7429664-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-09-30 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 GAA 2109/4885SMN1; SMN2 1803/4885MEN1 4326/4885
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.