SCHEMBL9940159

SCHEMBL9940159

CCOC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
IDO1 P14902 3/20 0.47
HDAC1 Q13547 4/20 0.46
POLB P06746 1/20 0.43
ALOX5AP P20292 3/20 0.41
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 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
SCHEMBL9966524 0.90 HDAC1 (0.49) NPSR1SMN1; SMN2GAALMNATDP1
SCHEMBL9966446 0.85 HDAC1 (0.52) IDO1HDAC1ALOX5APHDAC3HDAC7
SCHEMBL9966568 0.85 HDAC1 (0.55) IDO1HDAC1ALOX5APHDAC3HDAC7
SCHEMBL9936886 0.84 IDO1 (0.48) NPSR1MEN1KMT2ALMNAIDO1
SCHEMBL9966217 0.82 HDAC1 (0.46) NPSR1CYP2C9CYP2C19KMT2ALMNA
SCHEMBL9936138 0.82 HDAC1 (0.54) IDO1HDAC1ALOX5APHDAC3HDAC7
SCHEMBL14325150 0.81 HDAC1 (0.46) IDO1HDAC1ALOX5APHDAC3HDAC7
SCHEMBL9966291 0.81 GAA (0.46) NPSR1SMN1; SMN2GAACYP2C9KMT2A
SCHEMBL9966424 0.81 NPSR1 (0.51) NPSR1SMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL9966491 0.81 HDAC1 (0.51) IDO1HDAC1ALOX5APHDAC3HDAC7

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 11 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
EP-2651930-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP 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
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 NPSR1 716/4885SMN1; SMN2 4543/4885GAA 932/4885

“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.