SCHEMBL9966244

SCHEMBL9966244

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccncc4)CCOCC3)cc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.45
MAP4K4 O95819 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5AP P20292 2/20 0.44
IDO1 P14902 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 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
SCHEMBL9966518 0.97 HDAC1 (0.53) HDAC1LMNANPSR1HDAC3HDAC7
SCHEMBL9966442 0.92 HDAC1 (0.48) HDAC1LMNANPSR1HDAC3HDAC7
SCHEMBL9936407 0.90 LMNA (0.63) HDAC1LMNANPSR1HDAC3HDAC7
SCHEMBL9966281 0.90 LMNA (0.60) HDAC1LMNANPSR1HDAC3HDAC7
SCHEMBL9966517 0.89 HDAC1 (0.44) HDAC1LMNANPSR1HDAC3HDAC2
SCHEMBL14295956 0.89 HDAC1 (0.54) HDAC1LMNANPSR1HDAC3HDAC7
SCHEMBL9966435 0.89 LMNA (0.59) HDAC1LMNANPSR1HDAC3HDAC7
SCHEMBL9966212 0.89 HDAC1 (0.59) HDAC1LMNAHDAC3HDAC7HDAC2
SCHEMBL9966302 0.87 TP53 (0.54) HDAC1LMNAHDAC3HDAC7HDAC2
SCHEMBL9966334 0.86 HDAC1 (0.45) HDAC1LMNAHDAC3HDAC7HDAC2

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 1448/4885LMNA 351/4885NPSR1 716/4885

“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.