SCHEMBL1360146

SCHEMBL1360146

CC(=O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
THRB P10828 2/20 0.56
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 8/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL31509357 1.00 MAPT (0.56) MAPTTHRBMAPK1ALDH1A1CA12
SCHEMBL2832 0.86 ALDH1A1 (0.55) MAPTTHRBMAPK1ALDH1A1CA12
SCHEMBL29554999 0.86 ALDH1A1 (0.55) MAPTTHRBMAPK1ALDH1A1CA12
SCHEMBL25837924 0.84 ALDH1A1 (0.64) MAPTALDH1A1HIF1ATDP1CYP3A4
SCHEMBL77925 0.84 ALDH1A1 (0.64) MAPTALDH1A1HIF1ATDP1CYP3A4
SCHEMBL3656114 0.83 MAPK1 (0.57) MAPTTHRBMAPK1ALDH1A1CA12
SCHEMBL28043908 0.82 SMN1; SMN2 (0.48) MAPTTHRBALDH1A1HIF1ATDP1
Hydrochloric Acid SCHEMBL17164230 0.82 ALDH1A1 (0.62) MAPTALDH1A1HIF1ATDP1CYP3A4
SCHEMBL947293 0.82 ALDH1A1 (0.52) MAPTTHRBMAPK1ALDH1A1HIF1A
SCHEMBL114077 0.82 KMT2A (0.65) ALDH1A1HIF1ATDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109690-A1 HDAC6 INHIBITORS AND METHOD OF THEIR USE BAERENKRAFT THERAPEUTICS LLC (US) 2026-04-23 US disclosed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 US disclosed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 US disclosed
WO-2020248278-A1 METHOD FOR CONTINUOUS SYNTHESIS OF SUBSTITUTED BENZOIC-ACID ORGANIC SUBSTANCE 吉林凯莱英医药化学有限公司 2020-12-17 WO disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2393804-B1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-04-16 EP disclosed
EP-2393804-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-12-14 EP disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
WO-2010089292-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-12 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAPT 2969/4885THRB 3249/4885MAPK1 2306/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAPT 2969/4885THRB 3249/4885MAPK1 2306/4885
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION TLR5, SLC10A2, FNTB MAPT 778/4885THRB 1532/4885MAPK1 2627/4885
US-20260109690-A1 HDAC6 INHIBITORS AND METHOD OF THEIR USE HDAC6, HDAC3, HDAC1 MAPT 199/4885THRB 941/4885MAPK1 2090/4885

“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.