SCHEMBL9966516

SCHEMBL9966516

N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
HDAC1 Q13547 2/20 0.41
DEGS1 O15121 1/20 0.40
ELOVL1 Q9BW60 1/20 0.40
CTSC P53634 1/20 0.40
KCNH2 Q12809 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FGFR4 P22455 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PORCN Q9H237 1/20 0.38
CTPS1 P17812 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 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
SCHEMBL9966555 0.91 HDAC1 (0.43) HDAC1DEGS1ELOVL1KMT2AMEN1
SCHEMBL9966319 0.89 MAP4K4 (0.43) MAP4K4HDAC1ELOVL1CTSCKCNH2
SCHEMBL14315749 0.86 HDAC1 (0.48) MAP4K4HDAC1KMT2AALDH1A1USP2
SCHEMBL9936397 0.85 MAP4K4 (0.47) MAP4K4HDAC1DEGS1ELOVL1CTSC
SCHEMBL9966350 0.85 LMNA (0.48) MAP4K4HDAC1KMT2AMEN1ALDH1A1
SCHEMBL9966509 0.84 MAP4K4 (0.40) MAP4K4HDAC1ALDH1A1USP2TSHR
SCHEMBL9935831 0.84 POLB (0.47) MAP4K4HDAC1KMT2AALDH1A1USP2
SCHEMBL9966358 0.82 ALDH1A1 (0.56) MAP4K4HDAC1KMT2AMEN1ALDH1A1
SCHEMBL9966261 0.82 HIF1A (0.46) MAP4K4HDAC1CCR6
SCHEMBL14295880 0.82 MAP4K4 (0.39) MAP4K4HDAC1ELOVL1

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 8 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-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 MAP4K4 3244/4885HDAC1 1448/4885DEGS1 556/4885

“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.