SCHEMBL9966274

SCHEMBL9966274

Cn1nccc1-c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
ABL1 P00519 1/20 0.43
MAP4K4 O95819 1/20 0.40
PORCN Q9H237 1/20 0.40
HDAC1 Q13547 2/20 0.40
ALOX5AP P20292 5/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 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
SCHEMBL9940346 0.93 ALOX5 (0.44) ALOX5ABL1PORCNHDAC1ALOX5AP
SCHEMBL9966578 0.86 ALOX5AP (0.48) ALOX5APSLC6A3GSK3BDYRK1A
SCHEMBL9966350 0.85 LMNA (0.48) MAP4K4HDAC1ALDH1A1MAPTKMT2A
SCHEMBL14315749 0.85 HDAC1 (0.48) MAP4K4HDAC1ALOX5APALDH1A1MAPT
SCHEMBL9966429 0.85 ALOX5AP (0.42) ALOX5MAP4K4HDAC1ALOX5APALDH1A1
SCHEMBL9966358 0.83 ALDH1A1 (0.56) MAP4K4HDAC1ALDH1A1MAPTKMT2A
SCHEMBL9935831 0.82 POLB (0.47) MAP4K4HDAC1ALDH1A1MAPTKMT2A
SCHEMBL9966355 0.82 POLB (0.43) MAP4K4HDAC1ALDH1A1KMT2ALMNA
SCHEMBL9936505 0.82 HDAC1 (0.42) MAP4K4HDAC1ALOX5APALDH1A1MAPT
SCHEMBL9966217 0.82 HDAC1 (0.46) MAP4K4HDAC1ALDH1A1MAPTKMT2A

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 7 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-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 ALOX5 15/4885ABL1 1133/4885MAP4K4 3244/4885

“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.