SCHEMBL9966407

SCHEMBL9966407

Nc1ncc(-c2ccc(C3(C(=O)Nc4nccs4)CCC3)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
FFAR2 O15552 3/20 0.47
IDO1 P14902 1/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
GCK P35557 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5AP P20292 1/20 0.41
NR3C1 P04150 3/20 0.40
GAA P10253 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL9966581 0.82 LMNA (0.64) LMNAFFAR2IDO1ALDH1A1PKM
SCHEMBL9966461 0.82 IDO1 (0.47) LMNAFFAR2IDO1MAPTPKM
SCHEMBL9966236 0.81 ELOVL1 (0.64) LMNA
SCHEMBL9966281 0.81 LMNA (0.60) LMNAIDO1ALDH1A1ALOX5AP
SCHEMBL9940188 0.80 CYP3A4 (0.48) LMNAFFAR2IDO1PKMALOX5AP
SCHEMBL14315175 0.79 HDAC1 (0.52) LMNAIDO1ALOX5APGAA
SCHEMBL9966409 0.79 HDAC1 (0.56) LMNAIDO1ALDH1A1HTTALOX5AP
SCHEMBL9966317 0.79 ELOVL1 (0.56) LMNAL3MBTL1IDO1ALDH1A1MAPT
SCHEMBL9935555 0.79 ALDH1A1 (0.47) LMNAFFAR2IDO1ALDH1A1HTT
SCHEMBL9935698 0.79 ALDH1A1 (0.47) LMNAFFAR2IDO1ALDH1A1HTT

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 LMNA 351/4885L3MBTL1 739/4885FFAR2 296/4885

“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.