SCHEMBL9966428

SCHEMBL9966428

N#Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
USP30 Q70CQ3 1/20 0.45
FGFR4 P22455 2/20 0.45
ELOVL1 Q9BW60 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR2 O15552 3/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL9966555 0.83 HDAC1 (0.43) HDAC1ALDH1A1HTTUSP30FGFR4
SCHEMBL20972157 0.81 HDAC1 (0.52) HDAC1ALDH1A1HTTELOVL1FFAR2
SCHEMBL30636529 0.81 HDAC1 (0.52) HDAC1ALDH1A1HTTELOVL1FFAR2
SCHEMBL9966423 0.80 HDAC1 (0.59) HDAC1ALDH1A1HTTFFAR2NPC1
SCHEMBL9966469 0.79 ALOX5AP (0.42) FGFR4
SCHEMBL9966379 0.78 HDAC1 (0.57) HDAC1ALDH1A1HTTMEN1KMT2A
SCHEMBL4116662 0.75 CFTR (0.53) HDAC1
SCHEMBL9966427 0.75 HDAC1 (0.43) HDAC1ALDH1A1HTTFFAR2NPC1
SCHEMBL9966560 0.74 EP300 (0.45) HDAC1ALDH1A1HTTEP300
SCHEMBL9966387 0.74 HDAC1 (0.61) HDAC1ALDH1A1HTTHDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S HDAC1 1448/4885ALDH1A1 681/4885HTT 3764/4885

“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.