SCHEMBL4971979

SCHEMBL4971979

COC(=O)c1cc(Cl)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
MAPT P10636 5/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
NQO2 P16083 2/20 0.43
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALOX12 P18054 2/20 0.41
CCR6 P51684 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
SCHEMBL6079981 0.86 APP (0.49) APPMEN1KMT2AKDM4EALDH1A1
SCHEMBL28429400 0.85 APP (0.48) APPMEN1KMT2AKDM4EALDH1A1
SCHEMBL6591021 0.84 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL6591013 0.84 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL6080458 0.84 APP (0.49) APPMEN1KMT2AKDM4EALDH1A1
SCHEMBL3282367 0.83 NQO2 (0.50) KDM4EALDH1A1MAPTLMNANQO2
SCHEMBL6080149 0.82 APP (0.48) APPMEN1KMT2AKDM4EALDH1A1
SCHEMBL28420997 0.82 APP (0.46) APPMEN1KMT2AKDM4EALDH1A1
SCHEMBL3281565 0.80 NQO2 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL28429375 0.79 APP (0.44) APPMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 APP 1618/4885MEN1 1446/4885KMT2A 2077/4885

“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.