SCHEMBL169082

SCHEMBL169082

COc1ccccc1C(Br)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACHE P22303 1/20 0.46
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 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
SCHEMBL16794847 0.84 ERN1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL3417280 0.80 ERN1 (0.40) HTTPOLBERN1ALDH1A1TSHR
SCHEMBL5949775 0.80 IMPDH2 (0.45) IDO1ALDH1A1TDP1KMT2AKDM4E
SCHEMBL5786635 0.80 KDM4E (0.38) HTTPOLBERN1ALDH1A1TSHR
SCHEMBL21175616 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL21175582 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL3415066 0.80 TLR2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL16148904 0.79 LMNA (0.50) HTTTLR2ALDH1A1TSHRKMT2A
SCHEMBL15331984 0.79 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL21464451 0.79 CA1 (0.33) CA1CA2ACHEADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 WO disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
EP-2970282-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS Incyte Corporation (US) 2016-01-20 EP disclosed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
WO-2008049806-A1 PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-02 WO disclosed
EP-1910328-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2008042388-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed
WO-2007001225-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS. ASTRAZENECA (SE) 2007-01-04 WO disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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 (1 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 CA1 487/4885CA2 484/4885CA7 335/4885

“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.