SCHEMBL16737209

SCHEMBL16737209

COc1cc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 1.00
▸ ANO2 Q9NQ90 1/20 1.00
▸ CTSV O60911 3/20 0.63
▸ CTSL P07711 3/20 0.63
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MYC P01106 1/20 0.52
▸ MAX P61244 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AKR1C3 P42330 4/20 0.49
▸ AKR1C2 P52895 4/20 0.49
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CRHR2 Q13324 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
SCHEMBL29350754 1.00 ANO1 (1.00) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737120 0.92 ANO1 (0.84) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737098 0.88 ANO1 (0.79) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737100 0.84 ANO1 (0.72) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737170 0.84 ANO1 (0.72) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737203 0.84 ANO1 (0.72) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737099 0.83 ANO1 (0.71) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737089 0.82 ANO1 (0.70) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737168 0.82 ANO1 (0.70) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737171 0.82 CDC25B (0.69) ANO1ANO2CTSVCTSLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 — — US claimed
WO-2017161222-A1 THE USE OF INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS TO PREVENT AND TREAT PRETERM LABOR, ALONE OR IN COMBINATION WITH OTHER TOCOLYTIC AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-21 — — WO claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 — — US claimed
EP-4637541-A1 DEVICE, SYSTEM AND METHOD FOR MONITORING A SITE OF INTEREST INTERNAL TO A PATIENT BODY Exero Medical Ltd. (IL) 2025-10-29 — — EP disclosed
WO-2024134592-A1 DEVICE, SYSTEM AND METHOD FOR MONITORING A SITE OF INTEREST INTERNAL TO A PATIENT BODY Exero Medical Ltd. (IL) 2024-06-27 — — WO disclosed
EP-4351739-A2 COMPOSITIONS AND METHODS FOR CONTROLLING SWEAT PRODUCTION Unilever IP Holdings B.V. (NL) 2024-04-17 — — EP disclosed
EP-3612180-B1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A UNIV CALIFORNIA (US) 2023-10-11 — — EP disclosed
WO-2022258385-A2 COMPOSITIONS AND METHODS FOR CONTROLLING SWEAT PRODUCTION UNILEVER IP HOLDINGS B.V. (NL) 2022-12-15 — — WO disclosed
US-11358947-B2 Substituted 2-acylamino-cycloalkylthiophene-3-carboxylic acid arylamides as inhibitors of calcium-activated chloride channel TMEM16A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 — — US disclosed
US-20210156844-A1 TMEM16A Modulation for Diagnostic or Therapeutic Use in Pulmonary Hypertension (PH) BAYER AKTIENGESELLSCHAFT (DE) 2021-05-27 — — US disclosed
US-20200123128-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-23 — — US disclosed
EP-3618861-A1 TMEM16A MODULATION FOR DIAGNOSTIC OR THERAPEUTIC USE IN PULMONARY HYPERTENSION (PH) Bayer Aktiengesellschaft (DE) 2020-03-11 — — EP disclosed
EP-3612180-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A The Regents of the University of California (US) 2020-02-26 — — EP disclosed
WO-2018202471-A1 TMEM16A MODULATION FOR DIAGNOSTIC OR THERAPEUTIC USE IN PULMONARY HYPERTENSION (PH) BAYER AKTIENGESELLSCHAFT (DE) 2018-11-08 — — WO disclosed
WO-2018195127-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOAKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-25 — — WO disclosed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 — — US disclosed
WO-2017161222-A1 THE USE OF INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS TO PREVENT AND TREAT PRETERM LABOR, ALONE OR IN COMBINATION WITH OTHER TOCOLYTIC AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-21 — — WO disclosed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 — — US 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-11358947-B2 Substituted 2-acylamino-cycloalkylthiophene-3-carboxylic acid arylamides as inhibitors of calcium-activated chloride channel TMEM16A TMEM161A, ANO2, TRPV6 ANO1 9/4885ANO2 2/4885CTSV 3721/4885
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 ANO1 94/4885ANO2 87/4885CTSV 2337/4885
US-20210156844-A1 TMEM16A Modulation for Diagnostic or Therapeutic Use in Pulmonary Hypertension (PH) TMEM109, ANO1, ANO2 ANO1 2/4885ANO2 3/4885CTSV 3587/4885
US-20200123128-A1 SUBSTITUTED 2-ACYLAMINO-CYCLOALKYLTHIOPHENE-3-CARBOXYLIC ACID ARYLAMIDES AS INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNEL TMEM16A TMEM161A, ANO2, TRPV6 ANO1 9/4885ANO2 2/4885CTSV 3721/4885

“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.

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