SCHEMBL4922243

SCHEMBL4922243

O=C(COc1cc(-c2nc3ccccc3[nH]2)[nH]n1)C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 13/20 0.48
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE10A Q9Y233 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4923470 0.87 FOXO1 (0.48) FOXO1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4919221 0.82 MTOR (0.50) FOXO1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4919975 0.81 MAPT (0.62) FOXO1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4915117 0.81 FOXO1 (0.49) FOXO1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4918998 0.80 FOXO1 (0.46) FOXO1PDE10A
SCHEMBL4923424 0.80 FOXO1 (0.52) FOXO1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4910701 0.80 NPC1 (0.52) FOXO1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4920702 0.80 KDM4E (0.49) FOXO1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4910663 0.79 FOXO1 (0.55) FOXO1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4921877 0.78 FOXO1 (0.46) FOXO1KDM4EALDH1A1LMNASMN1; 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 FOXO1 2307/4885KDM4E 522/4885MEN1 2639/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FOXO1 2155/4885KDM4E 645/4885MEN1 1460/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FOXO1 455/4885KDM4E 1025/4885MEN1 4235/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 FOXO1 443/4885KDM4E 1001/4885MEN1 4222/4885

“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.