SCHEMBL1969359

SCHEMBL1969359

O=C(O)c1n[nH]c2c([N+](=O)[O-])c(Br)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
MAPT P10636 5/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TYMS P04818 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL1967202 0.81 KDM4E (0.48) ADORA2AADORA2BMAPTALDH1A1KDM4E
SCHEMBL6479084 0.79 TYMS (0.41) ADORA2AADORA2BMAPTMAPK1CYP1A2
SCHEMBL1965498 0.77 TYMS (0.38) MAPTMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL23562912 0.76 HCAR2 (0.40) NPC1RAB9ACDK9DYRK1ADYRK1B
SCHEMBL22531528 0.76 GPR17 (0.45) MAPK1KDM4ECDK9DYRK1ADYRK1B
SCHEMBL23562932 0.76 HCAR2 (0.42) CDK9DYRK1ADYRK1BPRKAG1PRKAA1
SCHEMBL2788489 0.74 DNA2 (0.51) MAPTMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL31030858 0.72 DYRK1A (0.51) ALDH1A1KDM4ENOS1CDK9DYRK1A
SCHEMBL17031915 0.72 DYRK1A (0.51) ALDH1A1KDM4ENOS1CDK9DYRK1A
SCHEMBL6477960 0.72 GSK3B (0.54) CYP1A2DYRK1A

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 11 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
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 ADORA2A 254/4885ADORA2B 687/4885MAPT 429/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 ADORA2A 241/4885ADORA2B 664/4885MAPT 456/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 ADORA2A 254/4885ADORA2B 687/4885MAPT 429/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 ADORA2A 241/4885ADORA2B 664/4885MAPT 456/4885

“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.