SCHEMBL9966301

SCHEMBL9966301

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc5c(c4)OCO5)CCOCC3)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.56
HDAC1 Q13547 3/20 0.46
CFTR P13569 2/20 0.46
MAP4K4 O95819 1/20 0.45
POLB P06746 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EPHB4 P54760 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL9966199 0.95 TEK (0.50) TEKHDAC1MAP4K4POLBMEN1
SCHEMBL9966203 0.84 HDAC1 (0.55) TEKHDAC1MAP4K4POLBEPHB4
SCHEMBL9966435 0.83 LMNA (0.59) HDAC1MAP4K4POLBNPC1RAB9A
SCHEMBL14295956 0.83 HDAC1 (0.54) HDAC1MAP4K4POLBNPC1RAB9A
SCHEMBL9966298 0.83 HDAC1 (0.47) HDAC1MAP4K4POLBNPC1RAB9A
SCHEMBL14315771 0.83 MAP4K4 (0.50) HDAC1MAP4K4POLBNPC1RAB9A
SCHEMBL14315772 0.83 LMNA (0.48) HDAC1MAP4K4POLBNPC1RAB9A
SCHEMBL9966518 0.83 HDAC1 (0.53) HDAC1MAP4K4POLBNPC1RAB9A
SCHEMBL9966436 0.83 MAP4K4 (0.53) HDAC1MAP4K4POLBNPC1RAB9A
SCHEMBL9966262 0.82 LMNA (0.49) HDAC1MAP4K4POLBNPC1RAB9A

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 TEK 1817/4885HDAC1 1448/4885CFTR 370/4885

“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.