SCHEMBL4975294

SCHEMBL4975294

COc1ccc(Br)cc1CCNC(=O)Cn1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 5/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL4974183 0.85 MAPT (0.61) MAPTCYP1A2CYP3A4KMT2AGAA
SCHEMBL4976362 0.81 PTPN1 (0.47) MAPTKDM4EPOLBCYP1A2CYP3A4
SCHEMBL4972898 0.81 PTPN1 (0.46) MAPTPOLBCYP1A2CYP3A4KMT2A
SCHEMBL4976373 0.81 PTPN1 (0.57) MAPTKDM4EKMT2AGAAALDH1A1
SCHEMBL4976581 0.79 MAPT (0.49) MAPTKDM4EPOLBKMT2AGAA
SCHEMBL3048622 0.78 POLB (0.62) MAPTKDM4EPOLBKMT2AGAA
SCHEMBL4975075 0.76 ALDH1A1 (0.52) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL3045466 0.76 MAPT (0.54) MAPTKDM4EPOLBKMT2AGAA
SCHEMBL3039180 0.76 POLB (0.52) MAPTPOLBGAAALDH1A1L3MBTL1
SCHEMBL3032769 0.76 ALDH1A1 (0.53) MAPTKDM4EPOLBKMT2AALDH1A1

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 441/4885KDM4E 2707/4885POLB 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.