SCHEMBL1956751

SCHEMBL1956751

COC(=O)c1cc(OC)ccc1-c1nc(C)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 6/20 0.48
TSHR P16473 5/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
NPC1 O15118 4/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 3/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1955285 0.85 ABL1 (0.46) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL17725584 0.81 KMT2A (0.58) ALDH1A1KMT2ATSHRMAPTMEN1
SCHEMBL30009450 0.78 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22345013 0.78 KDM4E (0.80) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18031477 0.76 MAPT (0.53) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL7401408 0.76 KMT2A (0.44) ALDH1A1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL7403459 0.76 MAPT (0.45) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL16481829 0.76 NR1H4 (0.48) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL1956215 0.76 ERN1 (0.45) KDM4ECYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL12576082 0.76 MAPT (0.44) KDM4ECYP2C9CYP2C19ALDH1A1KMT2A

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 KDM4E 1908/4885CYP1A2 534/4885CYP2D6 463/4885

“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.