SCHEMBL2113127

SCHEMBL2113127

Brc1ccc2c(c1)C=CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.37
ASIC3 Q9UHC3 1/20 0.37
KDM1A O60341 1/20 0.37
TRPA1 O75762 1/20 0.35
PARP10 Q53GL7 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
METAP1 P53582 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TDP2 O95551 1/20 0.31
PARP11 Q9NR21 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL29634842 1.00 PNMT (0.37) PNMTASIC3KDM1ATRPA1PARP10
SCHEMBL2114917 0.88 PNMT (0.35) PNMTASIC3KDM1ATRPA1PARP10
SCHEMBL7676244 0.83 PNMT (0.37) PNMTASIC3KDM1APARP10TDP1
SCHEMBL2965930 0.78 TRPA1 (0.37) PNMTASIC3KDM1ATRPA1PARP10
SCHEMBL28441336 0.78 PNMT (0.39) PNMTASIC3KDM1ATRPA1PARP10
SCHEMBL21698140 0.76 CHKA (0.30)
SCHEMBL13782128 0.75 ADRA2A (0.37) PNMTTDP2ADRA2AADRA2BADRA2C
SCHEMBL31503035 0.75 CA9 (0.35) CA12CA2CA9
SCHEMBL9114452 0.75 PARP10 (0.34) PARP10PARP1METAP1PARP11
SCHEMBL2524442 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-11932638-B2 Ion channel inhibitor compounds for cancer treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2024-03-19 US disclosed
WO-2023119210-A1 NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 제일약품주식회사 2023-06-29 WO disclosed
CN-116283900-A Fluorescent probe for detecting cysteine in lysosome, and preparation method and application thereof 湖北南博生物工程有限公司 2023-06-23 CN disclosed
WO-2022250244-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-01 WO disclosed
EP-3284744-B1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF SAMUMED LLC (US) 2021-05-05 EP disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
WO-2018215557-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-11-29 WO disclosed
CN-106458913-A Antidiabetic tricyclic compounds 默沙东公司 2017-02-22 CN disclosed
US-6008204-A ANTIDOTES FOR PREVENTING CERTAIN UNDESIRED SIDE EFFECTS OF RETINOIDS ALLERGAN SALES, INC. (US) 1999-12-28 US disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
US-5952345-A RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A ALLERGAN SALES, INC. (US) 1999-09-14 US disclosed
EP-0931786-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Vision Pharmaceuticals L.P. (US) 1999-07-28 EP disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed
WO-1998058922-A1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES, INC. (US) 1998-12-30 WO disclosed
EP-0853610-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan (US) 1998-07-22 EP disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 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 (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-11932638-B2 Ion channel inhibitor compounds for cancer treatment CACNA1E, KCNA1, KCNT1 PNMT 3730/4885ASIC3 215/4885KDM1A 1032/4885
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 PNMT 3730/4885ASIC3 215/4885KDM1A 1032/4885

“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.