SCHEMBL4060447

SCHEMBL4060447

Cc1c(Br)cc(F)c(F)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
SCHEMBL15497511 0.84 HDAC1 (0.35) KDM1AKDM1BHDAC1HDAC6
SCHEMBL31026375 0.80 TSHR (0.31) KDM1AKDM1BHDAC1HDAC6CA12
SCHEMBL3730086 0.80 CA1 (0.41) KDM1AKDM1BHDAC1HDAC6CA12
SCHEMBL334330 0.79 KDM1A (0.31) KDM1AKDM1BHDAC1HDAC6CA12
SCHEMBL716485 0.79 HDAC1 (0.35) KDM1AKDM1BHDAC1HDAC6
SCHEMBL23304085 0.78 CYP3A4 (0.33) HDAC1HDAC6CA1CA2
SCHEMBL9876027 0.78 POLB (0.30)
SCHEMBL12689887 0.76 HDAC1 (0.37) KDM1AKDM1BHDAC1HDAC6
SCHEMBL31032207 0.75 POLB (0.37)
SCHEMBL22341925 0.75 CA2 (0.39) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285442-A Method for synthesizing 2-methyl-3, 4, 5-trifluoro phenol 石家庄市凯信电子材料有限公司 2025-01-10 CN claimed
CN-109761743-B Preparation method of 2-methyl-3, 4, 5-trifluorobromobenzene 浙江永太科技股份有限公司 2021-04-30 CN claimed
CN-109761743-A The preparation method of 2- methyl -3,4,5- trifluorobromobenzene 浙江永太科技股份有限公司 2019-05-17 CN claimed
CN-105967974-A Preparation method of 2-methyl-3,4,5-trifluorobromobenzene 蚌埠中实化学技术有限公司 2016-09-28 CN claimed
CN-119285442-A Method for synthesizing 2-methyl-3, 4, 5-trifluoro phenol 石家庄市凯信电子材料有限公司 2025-01-10 CN disclosed
CN-119285442-A Method for synthesizing 2-methyl-3, 4, 5-trifluoro phenol 石家庄市凯信电子材料有限公司 2025-01-10 CN disclosed
CN-109761743-B Preparation method of 2-methyl-3, 4, 5-trifluorobromobenzene 浙江永太科技股份有限公司 2021-04-30 CN disclosed
CN-109761743-B Preparation method of 2-methyl-3, 4, 5-trifluorobromobenzene 浙江永太科技股份有限公司 2021-04-30 CN disclosed
CN-109761743-B Preparation method of 2-methyl-3, 4, 5-trifluorobromobenzene 浙江永太科技股份有限公司 2021-04-30 CN disclosed
CN-109761743-A The preparation method of 2- methyl -3,4,5- trifluorobromobenzene 浙江永太科技股份有限公司 2019-05-17 CN disclosed
CN-109761743-A The preparation method of 2- methyl -3,4,5- trifluorobromobenzene 浙江永太科技股份有限公司 2019-05-17 CN disclosed
CN-105967974-B A kind of preparation method of 2- methyl -3,4,5- trifluorobromobenzenes 蚌埠中实化学技术有限公司 2018-08-31 CN disclosed
CN-105967974-B A kind of preparation method of 2- methyl -3,4,5- trifluorobromobenzenes 蚌埠中实化学技术有限公司 2018-08-31 CN disclosed
CN-105967974-A Preparation method of 2-methyl-3,4,5-trifluorobromobenzene 蚌埠中实化学技术有限公司 2016-09-28 CN disclosed
CN-105967974-A Preparation method of 2-methyl-3,4,5-trifluorobromobenzene 蚌埠中实化学技术有限公司 2016-09-28 CN disclosed
CN-105967974-A Preparation method of 2-methyl-3,4,5-trifluorobromobenzene 蚌埠中实化学技术有限公司 2016-09-28 CN disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP 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

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-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.