SCHEMBL9966564

SCHEMBL9966564

Cc1ccc(C)n1-c1ncc(-c2ccc(C3(C(=O)Nc4ccc(Br)cn4)CCC3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
HDAC1 Q13547 4/20 0.43
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14325148 0.88 IDO1 (0.44) IDO1HDAC1ALDH1A1HTTMEN1
SCHEMBL9966503 0.84 IDO1 (0.41) IDO1HDAC1ALDH1A1HTT
SCHEMBL9966493 0.79 MAP4K4 (0.46) IDO1KDM4ETSHRMEN1KMT2A
SCHEMBL9966496 0.79 IDO1 (0.45) IDO1HDAC1KDM4E
SCHEMBL9966427 0.77 HDAC1 (0.43) IDO1HDAC1RAB9AALDH1A1NPC1
SCHEMBL9966560 0.76 EP300 (0.45) IDO1HDAC1ALDH1A1HTT
SCHEMBL20919682 0.75 HDAC1 (0.44) IDO1HDAC1RAB9AALDH1A1NPC1
SCHEMBL20972157 0.75 HDAC1 (0.52) IDO1HDAC1RAB9AALDH1A1NPC1
SCHEMBL30636529 0.75 HDAC1 (0.52) IDO1HDAC1RAB9AALDH1A1NPC1
SCHEMBL9936886 0.75 IDO1 (0.48) IDO1HDAC1RAB9AALDH1A1NPC1

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 4 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-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 IDO1 819/4885HDAC1 1448/4885KDM4E 3311/4885

“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.