SCHEMBL9966313

SCHEMBL9966313

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(C(F)(F)F)c(F)c4)CCOCC3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
IDO1 P14902 5/20 0.45
CYP2C9 P11712 4/20 0.45
TEK Q02763 3/20 0.43
KDR P35968 2/20 0.43
EPHB4 P54760 2/20 0.43
MAP4K4 O95819 1/20 0.43
HDAC3 O15379 3/20 0.41
NCOR2 Q9Y618 1/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9966304 0.90 HDAC1 (0.45) HDAC1IDO1CYP2C9TEKKDR
SCHEMBL9966481 0.87 MAP4K4 (0.48) HDAC1IDO1CYP2C9TEKKDR
SCHEMBL9966445 0.86 AR (0.44) HDAC1IDO1CYP2C9KDRMAP4K4
SCHEMBL9966302 0.85 TP53 (0.54) HDAC1IDO1CYP2C9TEKKDR
SCHEMBL9966206 0.84 IDO1 (0.49) HDAC1IDO1CYP2C9HDAC3NCOR2
SCHEMBL9966203 0.82 HDAC1 (0.55) HDAC1IDO1CYP2C9TEKKDR
SCHEMBL9966205 0.81 TEK (0.47) HDAC1IDO1CYP2C9TEKKDR
SCHEMBL14244231 0.81 ABL1 (0.52) HDAC1IDO1CYP2C9TEKKDR
SCHEMBL14295956 0.81 HDAC1 (0.54) HDAC1IDO1CYP2C9MAP4K4HDAC3
SCHEMBL9966435 0.81 LMNA (0.59) HDAC1CYP2C9MAP4K4HDAC3LMNA

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 HDAC1 1448/4885IDO1 819/4885CYP2C9 299/4885

“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.