SCHEMBL9966513

SCHEMBL9966513

Nc1ncc(-c2ccc(C3(C(=O)Nc4cccc(OC(F)(F)F)c4)CCOCC3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
TEK Q02763 1/20 0.43
EPHX2 P34913 3/20 0.42
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAP4K4 O95819 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL14244231 0.89 ABL1 (0.52) HDAC1KDREPHB4TEKABL1
SCHEMBL9966515 0.87 LMNA (0.45) HDAC1TEKALDH1A1MAPTTSHR
SCHEMBL9966214 0.84 HDAC1 (0.48) HDAC1MAP4K4
SCHEMBL9966262 0.84 LMNA (0.49) HDAC1ALDH1A1MAPTTSHRMAP4K4
SCHEMBL9966316 0.84 LMNA (0.47) HDAC1ALDH1A1MAPTHPGDMAP4K4
SCHEMBL14244217 0.83 MAP4K4 (0.41) HDAC1MAPTMAP4K4CYP2C9CYP2C19
SCHEMBL9966396 0.83 LMNA (0.43) HDAC1ALDH1A1MAPTTSHRMAP4K4
SCHEMBL9966517 0.81 HDAC1 (0.44) HDAC1ALDH1A1MAPTMAP4K4CYP2C9
SCHEMBL14315160 0.81 MAP4K4 (0.44) HDAC1ALDH1A1MAPTTSHRMAP4K4
SCHEMBL9966304 0.81 HDAC1 (0.45) HDAC1KDREPHB4TEKMAPT

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 6 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
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
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 1448/4885KDR 2192/4885EPHB4 706/4885

“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.