SCHEMBL4453414

SCHEMBL4453414

O=C(Cn1cnc2cccc(C(=O)O)c21)Nc1ccc2c(c1)CCC2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
POLB P06746 1/20 0.66
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
USP2 O75604 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NOD2 Q9HC29 3/20 0.48
NOD1 Q9Y239 3/20 0.48
ATM Q13315 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.47
MMP13 P45452 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3045797 0.89 MEN1 (0.62) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4974451 0.87 MEN1 (0.59) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3041094 0.87 MEN1 (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3044840 0.87 MEN1 (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3031541 0.87 KMT2A (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3042144 0.85 MEN1 (0.64) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3035223 0.84 KMT2A (0.63) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3043010 0.83 ALDH1A1 (0.63) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4978364 0.82 MEN1 (0.64) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4451021 0.82 SMN1; SMN2 (0.67) MEN1KMT2APOLBALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MEN1 1446/4885KMT2A 2077/4885POLB 2972/4885

“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.