SCHEMBL6744336

SCHEMBL6744336

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.41
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GPR27 Q9NS67 1/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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 0.85 TSHR (0.40) TSHRALDH1A1SMN1; SMN2GPR27HTT
SCHEMBL486529 0.85 TSHR (0.40) TSHRALDH1A1SMN1; SMN2GPR27HTT
SCHEMBL851686 0.84 LCK (0.48) TSHRALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL18015341 0.83 SMN1; SMN2 (0.43) TSHRSMN1; SMN2GPR27HTTNPC1
SCHEMBL8257796 0.81 TSHR (0.47) TSHRALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL13265169 0.81 TSHR (0.56) TSHRALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL21352107 0.79 SOS1 (0.44) TSHRHDAC1HDAC6MAPTL3MBTL1
SCHEMBL10102100 0.78 KDM4E (0.40) ALDH1A1HDAC1HDAC6SMN1; SMN2HTT
SCHEMBL9929155 0.78 HTT (0.47) TSHRALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL8257879 0.77 TSHR (0.43) TSHRALDH1A1HDAC1HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP 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
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
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 TSHR 314/4885ALDH1A1 2584/4885HDAC1 918/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR TSHR 603/4885ALDH1A1 2138/4885HDAC1 1092/4885

“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.