SCHEMBL9966261

SCHEMBL9966261

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)cn4)CCOCC3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
PTGS1 P23219 2/20 0.45
HDAC1 Q13547 3/20 0.43
TP53 P04637 1/20 0.41
MAP4K4 O95819 1/20 0.41
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
FPR2 P25090 2/20 0.39
CCR6 P51684 2/20 0.39
CCR7 P32248 1/20 0.39
TEK Q02763 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL9936505 0.89 HDAC1 (0.42) HDAC1MAP4K4NPC1RAB9AALOX5AP
SCHEMBL9966302 0.89 TP53 (0.54) HDAC1TP53THRBNPC1RAB9A
SCHEMBL9966443 0.88 MAP4K4 (0.42) HDAC1TP53MAP4K4ALOX5APFEN1
SCHEMBL14315749 0.86 HDAC1 (0.48) HDAC1MAP4K4NPC1RAB9AALOX5AP
SCHEMBL14325147 0.85 MAP4K4 (0.39) HDAC1MAP4K4NPC1RAB9AALOX5AP
SCHEMBL9966350 0.85 LMNA (0.48) HDAC1MAP4K4NPC1RAB9AHDAC3
SCHEMBL9935831 0.84 POLB (0.47) HDAC1MAP4K4NPC1RAB9AHDAC3
SCHEMBL9966205 0.83 TEK (0.47) HDAC1TP53MAP4K4THRBNPC1
SCHEMBL9966358 0.82 ALDH1A1 (0.56) HDAC1MAP4K4NPC1RAB9A
SCHEMBL9966516 0.82 MAP4K4 (0.41) HDAC1MAP4K4CCR6

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 HIF1A 2970/4885EPAS1 2643/4885PTGS1 92/4885

“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.