SCHEMBL9966401

SCHEMBL9966401

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccccc4-c4ccccc4)CCC3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.48
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAP4K4 O95819 1/20 0.43
ALOX5AP P20292 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
FTO Q9C0B1 1/20 0.42
LMNA P02545 3/20 0.42
IDO1 P14902 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
PKM P14618 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
SCHEMBL14244265 0.85 ALDH1A1 (0.54) HDAC1NPSR1MEN1KMT2AALOX5AP
SCHEMBL9966409 0.85 HDAC1 (0.56) HDAC1NPSR1ALOX5APALDH1A1HTT
SCHEMBL9966254 0.80 ALDH1A1 (0.66) HDAC1NPSR1MEN1KMT2AALOX5AP
SCHEMBL9966292 0.79 CYP1A2 (0.49) HDAC1ALOX5AP
SCHEMBL9966325 0.79 ADORA3 (0.47) HDAC1MEN1KMT2AL3MBTL1ALOX5AP
SCHEMBL14315175 0.78 HDAC1 (0.52) HDAC1NPSR1ALOX5APLMNAIDO1
SCHEMBL9936839 0.77 IDO1 (0.58) HDAC1ALOX5APALDH1A1HTTIDO1
SCHEMBL9966489 0.77 IDO1 (0.46) HDAC1NPSR1ALOX5APALDH1A1HTT
SCHEMBL14325150 0.77 HDAC1 (0.46) HDAC1MAP4K4ALOX5APALDH1A1HTT
SCHEMBL9966281 0.77 LMNA (0.60) HDAC1NPSR1ALOX5APALDH1A1LMNA

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 1448/4885NPSR1 716/4885MEN1 2410/4885

“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.