SCHEMBL2944161

SCHEMBL2944161

FC(F)COc1c(Cl)cc(Cl)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
SCN4A P35499 2/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
BDKRB1 P46663 4/20 0.32
KDM4E B2RXH2 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL29267361 0.73 TSHR (0.33) TSHRHTR2AHTR2CHTR2B
SCHEMBL3836783 0.71
SCHEMBL6926133 0.71 HTR2A (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1224074 0.71 ALOX5AP (0.33)
SCHEMBL10272844 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2415199 0.69 CA2 (0.46) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22954647 0.68 CA1 (0.34) TSHRALDH1A1CA1CA2CA9
SCHEMBL20872654 0.68 HTR2C (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29628543 0.68 HTR2C (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30189648 0.67 PDE8A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103249727-B Biaryl amide derivatives 霍夫曼-拉罗奇有限公司 2016-08-10 CN disclosed
US-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2015-03-05 US disclosed
US-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2015-03-05 US disclosed
US-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2015-03-05 US disclosed
US-8912221-B2 Biaryl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2014-12-16 US disclosed
US-8912221-B2 Biaryl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2014-12-16 US disclosed
US-8912221-B2 Biaryl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2014-12-16 US disclosed
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2668155-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US disclosed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US disclosed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
WO-2012089601-A1 NEW BIARYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO disclosed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 US disclosed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 US disclosed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 US disclosed
EP-2396301-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2011-12-21 EP disclosed
WO-2010091876-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2010-08-19 WO disclosed
US-20070189865-A1 Amino cyclopropane carboxamide derivatives as bradykinin antagonists MERCK & CO., INC. 2007-08-16 US 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-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 TSHR 260/4885ALDH1A1 974/4885ATM 2964/4885
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES CYP1A1, AHR, CYP1B1 TSHR 445/4885ALDH1A1 319/4885ATM 2448/4885
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 TSHR 260/4885ALDH1A1 974/4885ATM 2964/4885

“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.