SCHEMBL9940324

SCHEMBL9940324

NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.48
NCOR2 Q9Y618 1/20 0.48
IDO1 P14902 5/20 0.44
CYP2C9 P11712 1/20 0.43
HDAC1 Q13547 9/20 0.43
ALOX5AP P20292 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NAMPT P43490 1/20 0.40
GSK3B P49841 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
SCHEMBL14315754 0.88 IDO1 (0.46) HDAC3NCOR2IDO1CYP2C9HDAC1
SCHEMBL9966520 0.87 IDO1 (0.45) HDAC3NCOR2IDO1CYP2C9HDAC1
SCHEMBL9966315 0.86 IDO1 (0.58) HDAC3NCOR2IDO1CYP2C9HDAC1
SCHEMBL14315175 0.85 HDAC1 (0.52) HDAC3IDO1CYP2C9HDAC1ALOX5AP
SCHEMBL9936474 0.83 NPC1 (0.49) HDAC3IDO1CYP2C9HDAC1HDAC7
SCHEMBL9966324 0.83 ALOX5AP (0.45) HDAC3NCOR2IDO1CYP2C9HDAC1
SCHEMBL9966409 0.83 HDAC1 (0.56) HDAC3IDO1HDAC1ALOX5APHDAC7
SCHEMBL9966572 0.82 ALOX5AP (0.47) HDAC3IDO1CYP2C9HDAC1ALOX5AP
SCHEMBL9966450 0.82 ALOX5AP (0.47) HDAC3NCOR2IDO1CYP2C9HDAC1
SCHEMBL9966281 0.82 LMNA (0.60) HDAC3IDO1CYP2C9HDAC1ALOX5AP

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 HDAC3 1912/4885NCOR2 2890/4885IDO1 819/4885

“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.