SCHEMBL9966560

SCHEMBL9966560

Cn1cc(-c2ccc(NC(=O)C3(c4ccc(Br)cc4)CCC3)nc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 9/20 0.45
HDAC1 Q13547 2/20 0.45
GSK3B P49841 7/20 0.45
DYRK1A Q13627 7/20 0.45
WNT1 P04628 5/20 0.44
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9966224 0.88 ALOX5AP (0.49) EP300GSK3BDYRK1AWNT1IDO1
SCHEMBL9966427 0.83 HDAC1 (0.43) HDAC1IDO1ALDH1A1HTT
SCHEMBL14244005 0.79 ALOX5AP (0.51) EP300GSK3BDYRK1AWNT1
SCHEMBL9966578 0.79 ALOX5AP (0.48) EP300GSK3BDYRK1AWNT1
SCHEMBL30636529 0.77 HDAC1 (0.52) HDAC1IDO1ALDH1A1HTT
SCHEMBL20972157 0.77 HDAC1 (0.52) HDAC1IDO1ALDH1A1HTT
SCHEMBL9966564 0.76 IDO1 (0.44) HDAC1IDO1ALDH1A1HTT
SCHEMBL9966379 0.76 HDAC1 (0.57) HDAC1ALDH1A1HTT
SCHEMBL9966423 0.75 HDAC1 (0.59) HDAC1IDO1ALDH1A1HTT
SCHEMBL28508294 0.75 CCNC (0.59) EP300GSK3BDYRK1AWNT1

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 6 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
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 EP300 2790/4885HDAC1 1448/4885GSK3B 2554/4885

“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.