SCHEMBL9966404

SCHEMBL9966404

COc1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 3/20 0.42
FGFR4 P22455 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX5AP P20292 2/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.38
HDAC1 Q13547 2/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 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
SCHEMBL9936451 0.87 IDO1 (0.45) NPC1IDO1ALDH1A1MAPK1ALOX5AP
SCHEMBL9966191 0.85 ALOX5AP (0.44) IDO1ALDH1A1KMT2AALOX5APCYP2C9
SCHEMBL9966291 0.83 GAA (0.46) SMN1; SMN2IDO1ALDH1A1MAPK1KMT2A
SCHEMBL9936474 0.82 NPC1 (0.49) NPC1RAB9AIDO1ALDH1A1KMT2A
SCHEMBL9936886 0.82 IDO1 (0.48) NPC1RAB9AIDO1ALDH1A1KMT2A
SCHEMBL9966453 0.81 ALOX5AP (0.48) IDO1ALDH1A1ALOX5APHTTHDAC1
SCHEMBL9966253 0.81 MKNK1 (0.44) IDO1ALDH1A1MAPK1ALOX5APHTT
SCHEMBL9966524 0.80 HDAC1 (0.49) SMN1; SMN2IDO1ALDH1A1MAPK1ALOX5AP
SCHEMBL14325150 0.79 HDAC1 (0.46) IDO1ALDH1A1ALOX5APHTTHDAC1
SCHEMBL14244265 0.78 ALDH1A1 (0.54) IDO1ALDH1A1KMT2AMEN1ALOX5AP

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 NPC1 407/4885TP53 3779/4885TSHR 1226/4885

“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.