SCHEMBL9966291

SCHEMBL9966291

COc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 2/20 0.43
HPGD P15428 2/20 0.43
HDAC1 Q13547 1/20 0.43
WNT3A P56704 1/20 0.42
DEGS1 O15121 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 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
SCHEMBL9936451 0.88 IDO1 (0.45) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL9966253 0.88 MKNK1 (0.44) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL9966480 0.87 HDAC1 (0.47) ALDH1A1IDO1HDAC1LMNANPSR1
SCHEMBL9966524 0.86 HDAC1 (0.49) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL9936886 0.86 IDO1 (0.48) ALDH1A1MAPTIDO1HDAC1WNT3A
SCHEMBL14325150 0.85 HDAC1 (0.46) ALDH1A1IDO1HDAC1HTTALOX5AP
SCHEMBL14244265 0.84 ALDH1A1 (0.54) ALDH1A1IDO1HDAC1WNT3ALMNA
SCHEMBL9935698 0.84 ALDH1A1 (0.47) ALDH1A1IDO1HDAC1WNT3ALMNA
SCHEMBL9966404 0.83 NPC1 (0.43) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL9966568 0.83 HDAC1 (0.55) ALDH1A1IDO1HDAC1HTTALOX5AP

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 GAA 932/4885KDM4E 3311/4885ALDH1A1 681/4885

“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.