SCHEMBL9940346

SCHEMBL9940346

Cn1nccc1-c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ABL1 P00519 1/20 0.43
ALOX5AP P20292 10/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
IDO1 P14902 3/20 0.41
PORCN Q9H237 1/20 0.41
HDAC1 Q13547 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL9966274 0.93 ALOX5 (0.52) ALOX5ABL1ALOX5APALDH1A1PORCN
SCHEMBL9966503 0.87 IDO1 (0.41) ALOX5ABL1ALDH1A1HTTIDO1
SCHEMBL9966416 0.84 IDO1 (0.43) ALOX5APALDH1A1HTTIDO1HDAC1
SCHEMBL9966224 0.84 ALOX5AP (0.49) ABL1ALOX5APIDO1
SCHEMBL9935698 0.82 ALDH1A1 (0.47) ALOX5APALDH1A1HTTIDO1HDAC1
SCHEMBL9936886 0.82 IDO1 (0.48) ALOX5APALDH1A1HTTIDO1HDAC1
SCHEMBL14325150 0.82 HDAC1 (0.46) ALOX5APALDH1A1HTTIDO1HDAC1
SCHEMBL14244265 0.81 ALDH1A1 (0.54) ALOX5APALDH1A1HTTIDO1HDAC1
SCHEMBL9966254 0.80 ALDH1A1 (0.66) ALOX5APALDH1A1HTTIDO1HDAC1
SCHEMBL9966291 0.80 GAA (0.46) ALOX5APALDH1A1HTTIDO1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
EP-2651930-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP 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
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
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 ALOX5 15/4885ABL1 1133/4885ALOX5AP 43/4885

“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.