SCHEMBL486529

SCHEMBL486529

CC(=O)c1cc(F)c(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 3/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
DGAT1 O75907 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
MAOA P21397 1/20 0.34
HTT P42858 2/20 0.33
PLAU P00749 1/20 0.33
ELANE P08246 1/20 0.33
GPR27 Q9NS67 1/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL31404829 1.00 TSHR (0.40) TSHRALDH1A1SMN1; SMN2MAOBLCK
SCHEMBL6744336 0.85 TSHR (0.44) TSHRALDH1A1SMN1; SMN2MAOBHTT
SCHEMBL4949499 0.84 GPR27 (0.41) TSHRALDH1A1SMN1; SMN2MAOBDGAT1
SCHEMBL30204393 0.84 GPR27 (0.41) TSHRALDH1A1SMN1; SMN2MAOBDGAT1
SCHEMBL26353100 0.84 HDAC1 (0.37) TSHRALDH1A1SMN1; SMN2MAOBLCK
SCHEMBL12279737 0.80 SMN1; SMN2 (0.48) TSHRALDH1A1SMN1; SMN2MAOBLCK
SCHEMBL500029 0.79 SMN1; SMN2 (0.50) TSHRSMN1; SMN2LCKFYNDGAT1
SCHEMBL13390 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MAOBPOLB
SCHEMBL30753199 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2MAOBPOLB
SCHEMBL26353103 0.78 ATM (0.41) ALDH1A1HTTMAPT

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
WO-2024009191-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-01-11 WO disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
EP-2411388-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2012-02-01 EP disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
US-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides ELAN PHARMACEUTICALS, INC. 2011-02-10 US disclosed
WO-2010111418-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed
EP-0411252-B1 Process for the preparation of fluorobenzoic acids RIEDEL DE HAEN AG (DE) 1993-11-03 EP disclosed
US-5093529-A Process for the preparation of fluorinated benzoic acids CASSELLA AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
EP-0411252-A1 Process for the preparation of fluorobenzoic acids RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-02-06 EP disclosed
EP-0342849-A2 Intermediates for preparing 1,4-dihydro-4-oxo-quinoline-3-carboxylic acid esters PFIZER INC. (US) 1989-11-23 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 (3 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-20110034691-A1 Process for the Production of Fused, Tricyclic Sulfonamides CBR3, DRD4, SBDS TSHR 3717/4885ALDH1A1 1156/4885SMN1; SMN2 2746/4885
US-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 TSHR 314/4885ALDH1A1 2584/4885SMN1; SMN2 719/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR TSHR 603/4885ALDH1A1 2138/4885SMN1; SMN2 1932/4885

“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.