SCHEMBL9966324

SCHEMBL9966324

N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.45
IDO1 P14902 5/20 0.43
CYP2C9 P11712 1/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC3 O15379 2/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CHEK1 O14757 1/20 0.40
AR P10275 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9966321 0.87 HDAC1 (0.46) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL14315754 0.86 IDO1 (0.46) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL9936162 0.86 LMNA (0.41) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL9966520 0.85 IDO1 (0.45) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL9966315 0.84 IDO1 (0.58) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL14315175 0.83 HDAC1 (0.52) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL9940324 0.83 HDAC3 (0.48) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL14315743 0.82 IDO1 (0.42) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL9966488 0.82 MAP4K4 (0.44) ALOX5APIDO1CYP2C9HDAC1HDAC3
SCHEMBL17210422 0.82 HDAC1 (0.40) IDO1CYP2C9HDAC1HDAC3HDAC7

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 819/4885CYP2C9 299/4885

“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.