SCHEMBL9966201

SCHEMBL9966201

Nc1ncc(-c2ccc(C3(C(=O)Nc4nc(-c5ccccc5)ns4)CCOCC3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
HTT P42858 1/20 0.44
ADORA3 P0DMS8 8/20 0.44
GLS O94925 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAP4K4 O95819 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL9966325 0.92 ADORA3 (0.47) SMN1; SMN2NPC1RAB9AHTTADORA3
SCHEMBL9966232 0.84 LMNA (0.52) USP2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL9966534 0.83 ELOVL1 (0.58) USP2ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL9966220 0.83 USP2 (0.42) USP2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL9966435 0.83 LMNA (0.59) ALDH1A1TSHRNPC1RAB9AL3MBTL1
SCHEMBL14243984 0.80 PIK3CA (0.48) USP2ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL9966262 0.80 LMNA (0.49) USP2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL9966314 0.79 WNT3A (0.47) USP2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL9966482 0.78 LMNA (0.50) USP2ALDH1A1TSHRHSD17B10NPC1
SCHEMBL9966209 0.78 ELOVL1 (0.51) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A

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 USP2 3872/4885ALDH1A1 681/4885TSHR 1226/4885

“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.