SCHEMBL12019751

SCHEMBL12019751

CC(C)(C)c1cnc(N)nc1F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.42
FEN1 P39748 6/20 0.42
DHFR P00374 2/20 0.41
NUDT1 P36639 6/20 0.40

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
SCHEMBL1319022 0.78 DHFR (0.50) ALOX5APFEN1DHFRNUDT1
SCHEMBL21719315 0.78 ALOX5AP (0.31) ALOX5APFEN1
SCHEMBL24033682 0.77 ALOX5AP (0.30) ALOX5APFEN1
SCHEMBL15429579 0.77 DHFR (0.41) ALOX5APFEN1DHFRNUDT1
SCHEMBL9284172 0.77 NUDT1 (0.44) ALOX5APFEN1DHFRNUDT1
SCHEMBL10202044 0.76 KDM4E (0.45) ALOX5APFEN1DHFRNUDT1
SCHEMBL24858182 0.75 DHFR (0.41) ALOX5APFEN1DHFRNUDT1
SCHEMBL19770360 0.72 DHFR (0.47) ALOX5APFEN1DHFRNUDT1
SCHEMBL23966684 0.72 POLB (0.34)
SCHEMBL179347 0.72 KDM4E (0.42) ALOX5APFEN1DHFRNUDT1

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-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
US-8658661-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US 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 (2 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-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 ALOX5AP 17/4885FEN1 3090/4885DHFR 172/4885
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S ALOX5AP 24/4885FEN1 2717/4885DHFR 131/4885

“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.