SCHEMBL13519467

SCHEMBL13519467

CN(C)CC(Nn1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 9/20 0.41
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP4F8 P98187 1/20 0.37
▸ CYP4F12 Q9HCS2 1/20 0.37
▸ SLC9A1 P19634 3/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPGD P15428 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
SCHEMBL2732054 0.71 DGAT1 (0.44) SLC9A1DGAT1MAPK1ALDH1A1KDM4E
SCHEMBL1757403 0.70 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL1971917 0.69 DGAT1 (0.51) SLC9A1DGAT1POLBMAPK1ATM
SCHEMBL21904738 0.69 DGAT1 (0.51) SLC9A1DGAT1POLBMAPK1ATM
SCHEMBL6647077 0.68 F12 (0.37) CYP4Z1CYP1A2SLC9A1DGAT1POLB
SCHEMBL2732055 0.67 DGAT1 (0.49) SLC9A1DGAT1POLBMAPK1ATM
SCHEMBL11464650 0.67 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL16765694 0.66 SIRT2 (0.45) SLC9A1DGAT1POLBMAPK1ATM
SCHEMBL44480 0.66 SIRT2 (0.45) SLC9A1DGAT1POLBMAPK1ATM
SCHEMBL29361802 0.66 SIRT2 (0.45) SLC9A1DGAT1POLBMAPK1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829200-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 — — US disclosed
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 — — 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 (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 CYP4Z1 652/4885CYP1A2 196/4885CYP2C8 169/4885

“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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