SCHEMBL9936839

SCHEMBL9936839

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5cccnc5)cn4)CCC3)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
HDAC1 Q13547 2/20 0.57
ALOX5AP P20292 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.47
WNT3A P56704 1/20 0.47
DEGS1 O15121 1/20 0.47
GSK3B P49841 3/20 0.45
DYRK1A Q13627 3/20 0.45
ABCB1 P08183 2/20 0.43
ABCC1 P33527 2/20 0.43
ABL1 P00519 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
SCHEMBL14244265 0.91 ALDH1A1 (0.54) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9935698 0.90 ALDH1A1 (0.47) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9966188 0.87 ALDH1A1 (0.65) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9966254 0.86 ALDH1A1 (0.66) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9935555 0.86 ALDH1A1 (0.47) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL14325150 0.85 HDAC1 (0.46) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9966453 0.85 ALOX5AP (0.48) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9966579 0.84 ALOX5AP (0.48) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9936886 0.84 IDO1 (0.48) IDO1HDAC1ALOX5APALDH1A1HTT
SCHEMBL9966317 0.83 ELOVL1 (0.56) IDO1HDAC1ALOX5APALDH1A1HTT

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-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
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-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 IDO1 819/4885HDAC1 1448/4885ALOX5AP 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.