SCHEMBL9966480

SCHEMBL9966480

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCC3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
IDO1 P14902 2/20 0.39
ALOX5AP P20292 3/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL9966577 0.91 POLB (0.42) HDAC1ALDH1A1HTTNPC1RAB9A
SCHEMBL14244265 0.88 ALDH1A1 (0.54) HDAC1ALDH1A1HTTMEN1KMT2A
SCHEMBL9966291 0.87 GAA (0.46) HDAC1ALDH1A1HTTKMT2AIDO1
SCHEMBL9966477 0.83 CDK8 (0.46) HDAC1ALDH1A1HTT
SCHEMBL9966254 0.83 ALDH1A1 (0.66) HDAC1ALDH1A1HTTMEN1NPC1
SCHEMBL14325150 0.83 HDAC1 (0.46) HDAC1ALDH1A1HTTIDO1ALOX5AP
SCHEMBL9966568 0.82 HDAC1 (0.55) HDAC1ALDH1A1HTTIDO1ALOX5AP
SCHEMBL9966409 0.82 HDAC1 (0.56) HDAC1ALDH1A1HTTIDO1ALOX5AP
SCHEMBL9966296 0.81 LMNA (0.53) HDAC1ALDH1A1NPC1RAB9ALMNA
SCHEMBL9935698 0.81 ALDH1A1 (0.47) HDAC1ALDH1A1HTTIDO1ALOX5AP

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 1448/4885ALDH1A1 681/4885HTT 3764/4885

“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.