SCHEMBL2732054

SCHEMBL2732054

CN(C)CNC(n1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.44
▸ KMT2A Q03164 5/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ASAH1 Q13510 2/20 0.41
▸ GAA P10253 9/20 0.39
▸ MGAM O43451 8/20 0.39
▸ AMY1A P0DUB6 8/20 0.39
▸ SI P14410 8/20 0.39
▸ MGAM2 Q2M2H8 8/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ F12 P00748 2/20 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
SCHEMBL21904738 0.77 DGAT1 (0.51) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL1971917 0.77 DGAT1 (0.51) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL2732055 0.74 DGAT1 (0.49) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL29031460 0.72 DGAT1 (0.49) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL13519467 0.71 CYP4Z1 (0.41) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL3893181 0.70 DGAT1 (0.57) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL598226 0.69 DGAT1 (0.49) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL30495312 0.69 DGAT1 (0.47) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL21073734 0.69 DGAT1 (0.51) DGAT1KMT2AHTTNPSR1MAPT
SCHEMBL16765694 0.68 SIRT2 (0.45) DGAT1KMT2AHTTNPSR1MAPT

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
EP-2632915-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-12 — — EP disclosed
US-8829200-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 — — US disclosed
EP-2632915-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-09-04 — — EP disclosed
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 — — US disclosed
WO-2012058254-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 — — 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-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S DGAT1 2184/4885KMT2A 4028/4885HTT 4216/4885

“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.

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