SCHEMBL9966388

SCHEMBL9966388

CS(=O)(=O)NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.47
HDAC3 O15379 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
MAP4K4 O95819 2/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P4HTM Q9NXG6 2/20 0.39
POLB P06746 1/20 0.39
ALOX5AP P20292 1/20 0.38
CTPS1 P17812 1/20 0.38
HPGD P15428 1/20 0.36

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
SCHEMBL9936138 0.92 HDAC1 (0.54) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9935831 0.86 POLB (0.47) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9966217 0.86 HDAC1 (0.46) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9966418 0.85 HDAC1 (0.45) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL14295891 0.84 HDAC1 (0.54) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9966350 0.83 LMNA (0.48) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL14315749 0.83 HDAC1 (0.48) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9936505 0.80 HDAC1 (0.42) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL9966355 0.80 POLB (0.43) HDAC1MAP4K4NPC1CYP2C9CYP2C19
SCHEMBL9966383 0.80 HDAC1 (0.42) HDAC1HDAC3HDAC7HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1448/4885HDAC3 1912/4885HDAC7 3280/4885

“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.