SCHEMBL9966545

SCHEMBL9966545

Cc1cccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
GRM5 P41594 4/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAP4K4 O95819 1/20 0.41
HDAC1 Q13547 2/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 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
SCHEMBL9966194 0.87 MAP4K4 (0.43) KDM4ELMNAALDH1A1USP2TSHR
SCHEMBL9966336 0.86 MAP4K4 (0.41) KDM4ELMNAALDH1A1USP2TSHR
SCHEMBL9966350 0.85 LMNA (0.48) KMT2ALMNAALDH1A1USP2TSHR
SCHEMBL9966358 0.85 ALDH1A1 (0.56) KMT2ALMNAALDH1A1USP2TSHR
SCHEMBL9966314 0.84 WNT3A (0.47) KDM4EKMT2ALMNAALDH1A1USP2
SCHEMBL9966540 0.83 OPRD1 (0.51) KDM4EKMT2ALMNAALDH1A1USP2
SCHEMBL9966351 0.83 RAB9A (0.45) KMT2ALMNAALDH1A1USP2TSHR
SCHEMBL9966204 0.82 XIAP (0.45) KDM4ELMNAALDH1A1USP2TSHR
SCHEMBL14315749 0.82 HDAC1 (0.48) KMT2ALMNAALDH1A1USP2TSHR
SCHEMBL9966509 0.82 MAP4K4 (0.40) KDM4ELMNAALDH1A1USP2TSHR

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 KDM4E 3311/4885GRM5 3285/4885KMT2A 1697/4885

“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.