SCHEMBL3045797

SCHEMBL3045797

COC(=O)c1cccc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.50
NPC1 O15118 2/20 0.49
USP2 O75604 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.45
MAPK1 P28482 3/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL4974451 0.92 MEN1 (0.59) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4453414 0.89 MEN1 (0.66) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3044840 0.86 MEN1 (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3035200 0.84 SMN1; SMN2 (0.65) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL3041094 0.84 MEN1 (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3031541 0.84 KMT2A (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3043010 0.83 ALDH1A1 (0.63) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3042144 0.82 MEN1 (0.64) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3035223 0.82 KMT2A (0.63) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3043481 0.81 LMNA (0.50) MEN1KMT2APOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US claimed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI MEN1 1947/4885KMT2A 2653/4885POLB 746/4885

“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.