SCHEMBL4596581

SCHEMBL4596581

Cc1cc(C=O)cnc1Br

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGER4 P35408 1/20 0.34
ALDH1A3 P47895 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH3A1 P30838 1/20 0.32
LMNA P02545 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
FDPS P14324 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.30
UHRF1 Q96T88 1/20 0.30
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL30938635 0.79 TDP1 (0.33) TDP1UHRF1
SCHEMBL30590409 0.78 ALDH1A1 (0.39) SRCKDM4EPTGER4ALDH1A3ALDH1A1
SCHEMBL335598 0.78 ALDH1A1 (0.39) SRCKDM4EPTGER4ALDH1A3ALDH1A1
SCHEMBL13556463 0.78 PTGER4 (0.36) KDM4EPTGER4ALDH1A3ALDH1A1ALDH3A1
SCHEMBL29951110 0.77 SRC (0.36) SRCKDM4EPTGER4ALDH1A3ALDH1A1
SCHEMBL359521 0.75 ALDH1A1 (0.35) PTGER4ALDH1A3ALDH1A1TRIM24TRIM33
SCHEMBL31002342 0.75 ALDH1A1 (0.35) PTGER4ALDH1A3ALDH1A1TRIM24TRIM33
SCHEMBL335730 0.75 ALDH1A3 (0.41) KDM4EPTGER4ALDH1A3ALDH1A1CYP2A6
SCHEMBL335743 0.75 SRC (0.35) SRCKDM4EPTGER4ALDH1A3ALDH1A1
SCHEMBL38662682 0.75 ALDH1A3 (0.41) KDM4EPTGER4ALDH1A3ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511253-B Synthesis method of On-DNA tetrahydro-beta-carboline compound in construction of DNA coding compound library 上海药明康德新药开发有限公司 2023-10-13 CN claimed
US-20260070901-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTPR LTD (GB) 2026-03-12 US disclosed
US-12552771-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases CELGENE CORPORATION (US) 2026-02-17 US disclosed
EP-4584267-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS Cambridge Enterprise Limited (GB) 2025-07-16 EP disclosed
US-20240376106-A1 PROCESS OF PREPARING A PD-1/PD-L1 INHIBITOR INCYTE CORPORATION 2024-11-14 US disclosed
US-12084443-B2 Process of preparing a PD-1/PD-L1 inhibitor INCYTE CORPORATION (US) 2024-09-10 US disclosed
US-20240270714-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2024-08-15 US disclosed
EP-4355729-A1 AZETIDINYL COMPOUNDS COMPRISING A CARBOXYLIC ACID GROUP FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Celgene Corporation (US) 2024-04-24 EP disclosed
WO-2024052692-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed
US-11919879-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases CELGENE CORPORATION (US) 2024-03-05 US disclosed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
WO-2007071956-A1 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 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 (8 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-20240270714-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, LPAR5, S1PR2 SRC 3247/4885KDM4E 383/4885PTGER4 1672/4885
US-20240376106-A1 PROCESS OF PREPARING A PD-1/PD-L1 INHIBITOR PDCD1, CD274, PDCD1LG2 SRC 1122/4885KDM4E 459/4885PTGER4 4873/4885
US-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 SRC 4008/4885KDM4E 265/4885PTGER4 3139/4885
US-20260070901-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CSNK1A1, CSNK2A3, CSNK1G1 SRC 1773/4885KDM4E 890/4885PTGER4 2248/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 SRC 850/4885KDM4E 3689/4885PTGER4 464/4885
US-11919879-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases S1PR5, LPAR5, S1PR2 SRC 3247/4885KDM4E 383/4885PTGER4 1672/4885
US-12084443-B2 Process of preparing a PD-1/PD-L1 inhibitor PDCD1, CD274, PDCD1LG2 SRC 1122/4885KDM4E 459/4885PTGER4 4873/4885
US-12552771-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases S1PR5, CLN6, SNCA SRC 1863/4885KDM4E 1090/4885PTGER4 2786/4885

“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.