SCHEMBL1955737

SCHEMBL1955737

Cc1noc(-c2ccc(Cl)cc2CO)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
NOTUM Q6P988 2/20 0.41
BRD4 O60885 1/20 0.40
OPRK1 P41145 5/20 0.40
CASP3 P42574 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 2/20 0.37
GRM5 P41594 1/20 0.37
ACHE P22303 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN11 Q06124 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL1957849 0.88 TP53 (0.44) MAPTTP53NOTUMOPRK1L3MBTL1
SCHEMBL12576082 0.80 MAPT (0.44) MAPTTP53OPRK1L3MBTL1ALDH1A1
SCHEMBL14363660 0.80 GRM5 (0.55) MAPTTP53OPRK1CASP3L3MBTL1
SCHEMBL19207079 0.78 TP53 (0.46) MAPTTP53L3MBTL1ALDH1A1RAB9A
SCHEMBL20360304 0.77 TP53 (0.50) MAPTTP53OPRK1CASP3L3MBTL1
SCHEMBL30702156 0.77 TP53 (0.50) MAPTTP53OPRK1CASP3L3MBTL1
SCHEMBL1958809 0.73 MAPT (0.44) MAPTTP53BRD4OPRK1CASP3
SCHEMBL1955285 0.73 ABL1 (0.46) MAPTTP53L3MBTL1ALDH1A1RAB9A
SCHEMBL17150192 0.71 KDM4E (0.47) MAPTTP53OPRK1CASP3ALDH1A1
SCHEMBL1954933 0.71 MAPT (0.44) MAPTTP53OPRK1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509975-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2014-04-23 EP disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
EP-2509975-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 WO disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 MAPT 4685/4885TP53 3917/4885NOTUM 1216/4885

“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.