SCHEMBL9966503

SCHEMBL9966503

Cc1ccc(C)n1-c1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccnn5C)cn4)CCC3)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ABL1 P00519 1/20 0.39
PORCN Q9H237 3/20 0.39
HDAC1 Q13547 2/20 0.38
CYP2D6 P10635 1/20 0.36
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
FFAR2 O15552 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL9940346 0.87 ALOX5 (0.44) IDO1ALOX5ALDH1A1HTTABL1
SCHEMBL9966564 0.84 IDO1 (0.44) IDO1ALDH1A1HTTHDAC1
SCHEMBL14325148 0.84 IDO1 (0.44) IDO1ALDH1A1HTTHDAC1FFAR2
SCHEMBL9966274 0.80 ALOX5 (0.52) ALOX5ALDH1A1ABL1PORCNHDAC1
SCHEMBL9966493 0.76 MAP4K4 (0.46) IDO1
SCHEMBL9966496 0.75 IDO1 (0.45) IDO1HDAC1
SCHEMBL9966416 0.74 IDO1 (0.43) IDO1ALDH1A1HTTHDAC1FFAR2
SCHEMBL9966224 0.71 ALOX5AP (0.49) IDO1ABL1GSK3BDYRK1A
SCHEMBL9966427 0.71 HDAC1 (0.43) IDO1ALDH1A1HTTHDAC1FFAR2
SCHEMBL9936886 0.71 IDO1 (0.48) IDO1ALDH1A1HTTHDAC1FFAR2

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 5 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
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 819/4885ALOX5 15/4885ALDH1A1 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.