SCHEMBL334330

SCHEMBL334330

Cc1c(F)c(F)cc(Br)c1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
RAPGEF4 Q8WZA2 1/20 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
SCHEMBL169896 0.80 CA1 (0.38) HDAC1HDAC6CA12CA1CA2
SCHEMBL4060447 0.79 KDM1A (0.31) KDM1AKDM1BHDAC1HDAC6CA12
SCHEMBL716485 0.79 HDAC1 (0.35) KDM1AKDM1BHDAC1HDAC6
SCHEMBL25073989 0.78 CA1 (0.39) KDM1AKDM1BHDAC1HDAC6CA1
SCHEMBL19880474 0.78 CYP3A4 (0.39) HDAC1HDAC6CA1CA2
SCHEMBL22118356 0.78 CA1 (0.39) KDM1AKDM1BCA12CA1CA2
SCHEMBL31243056 0.78 SOS1 (0.30)
SCHEMBL9876027 0.78 POLB (0.30)
SCHEMBL9675381 0.75 POLB (0.37)
SCHEMBL31243034 0.75 SOS1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US disclosed
CN-110128231-A A kind of preparation method of diaryl acetylene compound 南京邮电大学 2019-08-16 CN disclosed
US-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity SINDKHEDKAR MILIND DATTATRAYA 2009-10-01 US disclosed
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2006-08-10 US disclosed
EP-1611104-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-01-04 EP disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed
EP-0237955-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-07-15 EP disclosed
US-4894458-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-01-16 US disclosed
EP-0237955-A2 Quinolonecarboxylic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 KDM1A 607/4885KDM1B 924/4885HDAC1 760/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 KDM1A 607/4885KDM1B 924/4885HDAC1 760/4885
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity CYP51A1, CASP12, LSS KDM1A 1445/4885KDM1B 1317/4885HDAC1 73/4885
US-20060178515-A1 Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists HCRTR2, HCRTR1, OXTR KDM1A 1928/4885KDM1B 1771/4885HDAC1 737/4885

“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.