SCHEMBL4976362

SCHEMBL4976362

COc1cc(CCNC(=O)Cn2cnc3cccc([N+](=O)[O-])c32)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
TRPA1 O75762 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 1/20 0.41

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 0.94 PTPN1 (0.46) PTPN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4976373 0.92 PTPN1 (0.57) PTPN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4974183 0.87 MAPT (0.61) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3039696 0.85 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4975075 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTTRPA1
SCHEMBL4976891 0.82 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4975294 0.81 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTTRPA1
SCHEMBL4971904 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTTRPA1
SCHEMBL4976581 0.80 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4456795 0.80 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1

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 4 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

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 PTPN1 4470/4885ALDH1A1 1336/4885MEN1 1446/4885

“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.