SCHEMBL4920702

SCHEMBL4920702

O=C(COc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL4910701 0.89 NPC1 (0.52) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4913053 0.88 NPC1 (0.52) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4923424 0.87 FOXO1 (0.52) KDM4EALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5952319 0.87 NPC1 (0.47) KDM4EALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4912795 0.87 FOXO1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4919221 0.85 MTOR (0.50) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4923160 0.85 KDM4E (0.54) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4922225 0.82 GAA (0.47) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4912828 0.82 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4919975 0.81 MAPT (0.62) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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 (4 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 KDM4E 522/4885ALDH1A1 1389/4885HPGD 1307/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KDM4E 645/4885ALDH1A1 862/4885HPGD 1623/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 KDM4E 1025/4885ALDH1A1 1617/4885HPGD 3957/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 KDM4E 1001/4885ALDH1A1 1651/4885HPGD 4019/4885

“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.