SCHEMBL1967330

SCHEMBL1967330

O=C(O)c1n[nH]c2c1ccc1cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
PTPRE P23469 1/20 0.40
PTPN6 P29350 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ENPP2 Q13822 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM5 P41594 1/20 0.36
PDPK1 O15530 1/20 0.36
PIM3 Q86V86 1/20 0.35
KMO O15229 1/20 0.35
PRKAG1 P54619 3/20 0.34
PRKAA1 Q13131 3/20 0.34
PRKAB1 Q9Y478 3/20 0.34
HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL3186470 0.75 CSNK2A2 (0.49) KDM4EALDH1A1HPGDHSD17B10HAO1
SCHEMBL29863130 0.71 CSNK2A2 (0.49) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL22412979 0.71 CSNK2A2 (0.49) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL1558505 0.70 CSNK2A2 (0.35) PRKAG1PRKAA1PRKAB1HAO1CSNK2A2
SCHEMBL3276660 0.69 GRM5 (0.56) KEAP1PTPRCPTPN2PTPN1PTPRB
SCHEMBL29696589 0.69 GRM5 (0.56) KEAP1PTPRCPTPN2PTPN1PTPRB
Hydrochloric Acid SCHEMBL6052926 0.69 CSNK2A2 (0.34) PRKAG1PRKAA1PRKAB1HAO1CSNK2A2
SCHEMBL16235687 0.68 MCL1 (0.46) KDM4EHAO1HCAR2
Indole SCHEMBL9100070 0.68 FLT3 (0.51) KDM4EALDH1A1HAO1
SCHEMBL23562912 0.68 HCAR2 (0.40) PRKAG1PRKAA1PRKAB1HAO1PRKAB2

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-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
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO 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 KEAP1 1804/4885PTPRC 2495/4885PTPN2 2874/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 KEAP1 1818/4885PTPRC 2497/4885PTPN2 2865/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 KEAP1 1804/4885PTPRC 2495/4885PTPN2 2874/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 KEAP1 1818/4885PTPRC 2497/4885PTPN2 2865/4885

“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.