SCHEMBL4556266

SCHEMBL4556266

O=Cc1cccnc1-n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP2A6 P11509 1/20 0.44
▸ TRIM24 O15164 1/20 0.43
▸ TRIM33 Q9UPN9 1/20 0.43
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ ALOX5AP P20292 1/20 0.34
▸ FBP1 P09467 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BLM P54132 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
SCHEMBL192940 0.75 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2CYP2A6TRIM24
SCHEMBL9826144 0.75 CYP2A6 (0.47) KDM4EALDH1A1SMN1; SMN2CYP2A6L3MBTL1
SCHEMBL29935775 0.75 CYP2A6 (0.47) KDM4EALDH1A1SMN1; SMN2CYP2A6KMT2A
SCHEMBL8237489 0.74 CYP2A6 (0.44) KDM4EALDH1A1SMN1; SMN2CYP2A6HSP90AA1
SCHEMBL10100072 0.73 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2CYP2A6HSP90AA1
SCHEMBL19979961 0.73 MYC (0.53) KDM4EALDH1A1SMN1; SMN2CYP2A6KMT2A
SCHEMBL4556380 0.73 TRIM24 (0.42) KDM4EALDH1A1CYP2A6TRIM24TRIM33
SCHEMBL3273101 0.72 NCOA3 (0.45) KDM4EALDH1A1CYP2A6TRIM24TRIM33
SCHEMBL22421808 0.72 CYP2A6 (0.45) KDM4EALDH1A1SMN1; SMN2CYP2A6GRM4
SCHEMBL885409 0.72 PARP1 (0.44) KDM4EALDH1A1SMN1; SMN2CYP2A6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635566-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2018-05-16 — — EP disclosed
EP-2635566-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2018-05-16 — — EP disclosed
US-8772304-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-8772304-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-8772304-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 — — US disclosed
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 — — US disclosed
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 — — US disclosed
WO-2012061169-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — 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-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 KDM4E 2585/4885ALDH1A1 283/4885SMN1; SMN2 3982/4885

“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.

Send feedback