SCHEMBL9966534

SCHEMBL9966534

Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccc5)cs4)CCOCC3)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 2/20 0.58
CFTR P13569 10/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
GLS O94925 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9966213 0.93 ELOVL1 (0.61) ELOVL1CFTRMEN1KMT2AHSD17B10
SCHEMBL9966209 0.90 ELOVL1 (0.51) ELOVL1CFTRLMNAKDM4EHTT
SCHEMBL9966236 0.84 ELOVL1 (0.64) ELOVL1CFTRLMNA
SCHEMBL9966317 0.83 ELOVL1 (0.56) ELOVL1CFTRLMNAKDM4EHTT
SCHEMBL9966201 0.83 USP2 (0.46) LMNAHTTMEN1KMT2AL3MBTL1
SCHEMBL9966435 0.83 LMNA (0.59) LMNAL3MBTL1ALDH1A1TSHRRAB9A
SCHEMBL9966234 0.83 HDAC1 (0.50) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL14243984 0.82 PIK3CA (0.48) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL9966482 0.82 LMNA (0.50) LMNAL3MBTL1ALDH1A1USP2TSHR
SCHEMBL9966438 0.81 ABL1 (0.43) ELOVL1CFTRLMNAKDM4EKMT2A

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 ELOVL1 222/4885CFTR 370/4885LMNA 351/4885

“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.