SCHEMBL266607

SCHEMBL266607

Cc1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
MAOB P27338 7/20 0.55
MAOA P21397 3/20 0.55
POLB P06746 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
XDH P47989 1/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ACHE P22303 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47

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
Dimethylamine SCHEMBL2105293 0.95 CA12 (0.54) CA12CA9MAOBMAOAPOLB
SCHEMBL6597993 0.86 TSHR (0.48) CA12CA9NPC1MAPTRAB9A
SCHEMBL31415605 0.81 CA12 (0.65) CA12CA9MAOBMAOAPOLB
SCHEMBL28399285 0.80 MAOB (0.56) CA12CA9MAOBMAOAPOLB
SCHEMBL8618928 0.79 CA12 (0.55) CA12CA9MAOBMAOAPOLB
SCHEMBL8382142 0.79 CA12 (0.55) CA12CA9MAOBMAOAPOLB
SCHEMBL18936062 0.79 MAOB (0.55) CA12CA9MAOBMAOAPOLB
SCHEMBL5177829 0.79 CA12 (0.57) CA12CA9MAOBMAOAPOLB
SCHEMBL17199261 0.79 MAOB (0.55) CA12CA9MAOBMAOAPOLB
SCHEMBL12778676 0.79 MAOB (0.55) CA12CA9MAOBMAOAPOLB

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-5055473-A QUINOLINYL SULFONAMIDE ANTI-ARRHYTHMIC AGENTS AND USE THEREAS PFIZER INC. (US) 1991-10-08 US disclosed
EP-0285323-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1990-11-28 EP disclosed
US-4956382-A TERTIARY AMINE HETEROCYCLIC SULFONAMIDES PFIZER INC. (US) 1990-09-11 US disclosed
EP-0286277-B1 ANTIARRYTHMIC AGENTS Pfizer Limited (GB) 1990-06-20 EP disclosed
EP-0281254-B1 ANTIARRYTHMIC AGENTS Pfizer Limited (GB) 1990-01-17 EP disclosed
US-4829071-A Quinolyl substituted indane sulfonamides and their use as anti-arrhythmic agents PFIZER INC. (US) 1989-05-09 US disclosed
US-4822793-A Benzazepine antiarrhythmic agents PFIZER INC. (US) 1989-04-18 US disclosed
EP-0286277-A1 Antiarrythmic agents Pfizer Limited (GB) 1988-10-12 EP disclosed
EP-0285323-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-10-05 EP disclosed
EP-0281254-A1 Antiarrythmic agents Pfizer Limited (GB) 1988-09-07 EP 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 CA12 3007/4885CA9 3168/4885MAOB 2719/4885
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS YEATS2, YEATS4, KNTC1 CA12 4217/4885CA9 3963/4885MAOB 3827/4885

“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.