SCHEMBL9966209

SCHEMBL9966209

Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccn5)cs4)CCOCC3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.51
WNT3A P56704 1/20 0.51
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
ADORA3 P0DMS8 3/20 0.46
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
L3MBTL1 Q9Y468 7/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 7/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 3/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 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
SCHEMBL9966534 0.90 ELOVL1 (0.58) ELOVL1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL9966213 0.88 ELOVL1 (0.61) ELOVL1WNT3AMEN1KMT2ACFTR
SCHEMBL9966344 0.81 HDAC1 (0.41) RAB9ANPC1LMNAL3MBTL1ALDH1A1
SCHEMBL9966358 0.81 ALDH1A1 (0.56) RAB9ANPC1LMNAL3MBTL1ALDH1A1
SCHEMBL14243984 0.80 PIK3CA (0.48) WNT3ARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL9966236 0.80 ELOVL1 (0.64) ELOVL1WNT3ALMNACFTR
SCHEMBL9966317 0.79 ELOVL1 (0.56) ELOVL1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL9966201 0.78 USP2 (0.46) RAB9ASMN1; SMN2NPC1LMNAADORA3
SCHEMBL9966438 0.78 ABL1 (0.43) ELOVL1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL9966435 0.77 LMNA (0.59) RAB9ANPC1LMNAL3MBTL1ALDH1A1

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 ELOVL1 222/4885WNT3A 3679/4885RAB9A 1585/4885

“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.