SCHEMBL9966191

SCHEMBL9966191

COc1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.44
IDO1 P14902 3/20 0.41
HDAC1 Q13547 6/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KMT2A Q03164 2/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP2C9 P11712 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
SCHEMBL9966184 0.87 IDO1 (0.48) ALOX5APIDO1HDAC1ALDH1A1LMNA
SCHEMBL14325151 0.86 LMNA (0.44) ALOX5APIDO1HDAC1ALDH1A1LMNA
SCHEMBL9936474 0.86 NPC1 (0.49) IDO1HDAC1KDM4EALDH1A1MAPT
SCHEMBL9966257 0.85 LMNA (0.44) ALOX5APIDO1HDAC1ALDH1A1LMNA
SCHEMBL9966404 0.85 NPC1 (0.43) ALOX5APIDO1HDAC1KDM4EALDH1A1
SCHEMBL9966269 0.83 CDK8 (0.46) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9966281 0.83 LMNA (0.60) ALOX5APIDO1HDAC1ALDH1A1LMNA
SCHEMBL9936162 0.82 LMNA (0.41) ALOX5APIDO1HDAC1ALDH1A1LMNA
SCHEMBL9936451 0.82 IDO1 (0.45) ALOX5APIDO1HDAC1KDM4EALDH1A1
SCHEMBL9966572 0.81 ALOX5AP (0.47) ALOX5APIDO1HDAC1ALDH1A1LMNA

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
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
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

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 ALOX5AP 43/4885IDO1 819/4885HDAC1 1448/4885

“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.