SCHEMBL4974183

SCHEMBL4974183

COc1ccc(CCNC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 4/20 0.57
CYP2C19 P33261 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
GLA P06280 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4972898 0.88 PTPN1 (0.46) MAPTCYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL4976373 0.88 PTPN1 (0.57) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4976362 0.87 PTPN1 (0.47) MAPTCYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL4975294 0.85 MAPT (0.43) MAPTCYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL4976581 0.84 MAPT (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3048622 0.83 POLB (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4975075 0.83 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4971904 0.81 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2A
SCHEMBL3045466 0.78 MAPT (0.54) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14426734 0.78 KMT2A (0.67) MAPTCYP1A2CYP3A4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 441/4885CYP1A2 275/4885CYP3A4 91/4885

“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.