SCHEMBL1964180

SCHEMBL1964180

O=C(O)c1nn(-c2ccsc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.47
PTGER1 P34995 2/20 0.46
RORC P51449 4/20 0.46
ELANE P08246 7/20 0.45
PLAU P00749 1/20 0.44
STAT1 P42224 2/20 0.44
APP P05067 1/20 0.43
MAPT P10636 1/20 0.43
ADORA1 P30542 1/20 0.43
HSD11B1 P28845 1/20 0.41
RARG P13631 1/20 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
SCHEMBL7421574 0.83 SCN9A (0.58) SCN9ARORCSTAT1APPMAPT
SCHEMBL15557005 0.74 CHRNA7 (0.52)
SCHEMBL1963126 0.74 CHRNA7 (0.52)
SCHEMBL16516700 0.73 STAT1 (0.49) SCN9ARORCSTAT1RARG
SCHEMBL16517137 0.73 STAT1 (0.49) SCN9ARORCSTAT1MAPTRARG
SCHEMBL13885872 0.73 RIPK1 (0.52) SCN9ARORCSTAT1APPMAPT
SCHEMBL9024249 0.72 ALDH1A1 (0.57) SCN9ARORCELANESTAT1MAPT
SCHEMBL30695134 0.71 SCN9A (0.76) SCN9ARORCELANEMAPT
SCHEMBL4560776 0.71 SCN9A (0.76) SCN9ARORCELANEMAPT
SCHEMBL15420907 0.71 HTR3A (0.53) SCN9ARORCSTAT1

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
CN-103724343-A Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARM CORP 2014-04-16 CN disclosed
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
CN-101001856-A Indazoles, benzothiazoles, benzisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARM CORP (US) 2007-07-18 CN disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 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 (4 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 SCN9A 196/4885PTGER1 2663/4885RORC 280/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 SCN9A 201/4885PTGER1 2627/4885RORC 300/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 SCN9A 196/4885PTGER1 2663/4885RORC 280/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 SCN9A 201/4885PTGER1 2627/4885RORC 300/4885

“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.