SCHEMBL6337272

SCHEMBL6337272

O=[N+]([O-])Cc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.50
AKR1B1 P15121 1/20 0.48
TSHR P16473 3/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
CA12 O43570 4/20 0.42
CA2 P00918 4/20 0.42
IDO1 P14902 2/20 0.42
CA9 Q16790 3/20 0.41
MPO P05164 1/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL10722276 0.84 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10
SCHEMBL6030691 0.79 CYP3A4 (0.51) HSPA5AKR1B1TSHRCYP2D6HIF1A
SCHEMBL6059742 0.78 ALDH1A1 (0.44) TSHRCA12ALDH1A1
SCHEMBL28671608 0.76 MGLL (0.47) HSPA5AKR1B1TSHRCYP2D6HIF1A
SCHEMBL11229770 0.76 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10
SCHEMBL4128241 0.75 IDO1 (0.53) HSPA5AKR1B1TSHRCYP2D6HIF1A
SCHEMBL5183966 0.75 MGLL (0.50) HSPA5AKR1B1TAAR1CA12CA2
SCHEMBL1696805 0.74 ALDH1A1 (0.64) TSHRCYP2D6ALDH1A1HSD17B10
SCHEMBL3019254 0.74 TAAR1 (0.45) TSHRTAAR1IDO1ALDH1A1
SCHEMBL6918417 0.74 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152249-A1 CURABLE COMPOSITION FOR AN ELECTRICAL MACHINE, AND ASSOCIATED METHOD General Electric Company (US) 2017-04-12 EP disclosed
WO-2015187928-A1 CURABLE COMPOSITION FOR AN ELECTRICAL MACHINE, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2015-12-10 WO disclosed
US-20050065185-A1 Heterocyclylalkoxy-, -alkylthio- and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US disclosed
US-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US disclosed
US-6831094-B2 For therapy of central nervous system disorders such as anxiety, depression, motor disorders WYETH 2004-12-14 US disclosed
US-6815456-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-09 US disclosed
EP-1392682-A2 HETEROCYCLYLALKOXY-, -ALKYLTHIO- AND -ALKYLAMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-03-03 EP disclosed
EP-1385842-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-02-04 EP disclosed
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-04-24 US disclosed
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-04-10 US disclosed
WO-2002085892-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 WO disclosed
WO-2002085853-A2 HETEROCYCLYLALKOXY-, -ALKYLTHIO- AND -ALKYLAMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 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-20050065185-A1 Heterocyclylalkoxy-, -alkylthio- and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HSPA5 3556/4885AKR1B1 838/4885TSHR 218/4885
US-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HSPA5 3679/4885AKR1B1 805/4885TSHR 177/4885
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HSPA5 3676/4885AKR1B1 785/4885TSHR 224/4885
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HSPA5 3713/4885AKR1B1 717/4885TSHR 182/4885

“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.