SCHEMBL3434671

SCHEMBL3434671

C=C(Nc1cccc2ccsc12)C1CN2CCC1CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
HTR3A P46098 3/20 0.38
CHRNA7 P36544 5/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
KIF18A Q8NI77 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL263542 0.81 TRPM5 (0.39) GAAHTR3ACHRNA7
SCHEMBL3434111 0.74 CHRNA7 (0.47) HTR3ACHRNA7HTR3EHTR3BCHRNB4
SCHEMBL3435450 0.73 HTR3A (0.37) HTR3ACHRNA7HTR3EHTR3BCHRNB4
SCHEMBL263517 0.72 GAA (0.35) GAAHTR3ACHRNA7HTR3EHTR3B
SCHEMBL14066345 0.68 HTR3A (0.41) GAAHTR3ACHRNA7
SCHEMBL3434676 0.66 GAA (0.56) GAAHTR3ACHRNA7HTR3EHTR3B
SCHEMBL263518 0.65 GAA (0.43) GAAHTR3ACHRNA7
SCHEMBL263704 0.65 EPAS1 (0.43) GAAHTR3ACHRNA7
SCHEMBL12608353 0.65 GAA (0.69) GAAHTR3ACHRNA7HTR3EHTR3B
SCHEMBL7372842 0.64 CYP2A6 (0.44) GAAKIF18A

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2109/4885HTR3A 152/4885CHRNA7 1/4885
US-20090209579-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 GAA 2109/4885HTR3A 152/4885CHRNA7 1/4885

“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.