SCHEMBL17618250

SCHEMBL17618250

CN(C)c1ccc([N+](=O)[O-])c(CN)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 5/20 0.52
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
HCAR3 P49019 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NCF1 P14598 1/20 0.33

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
SCHEMBL9376848 0.80 TXNRD1 (0.46) TXNRD1MAPTMEN1KMT2AKDM4E
SCHEMBL9851480 0.78 TXNRD1 (0.50) TXNRD1MAPTMEN1KMT2AKDM4E
SCHEMBL2066899 0.76 TXNRD1 (0.51) TXNRD1MAPTMEN1KMT2AKDM4E
SCHEMBL21801996 0.75 TXNRD1 (0.50) TXNRD1MAPTKDM4ELMNATSHR
SCHEMBL19171762 0.72 TXNRD1 (0.48) TXNRD1MAPTALDH1A1HTTTDP1
SCHEMBL15472273 0.72 MAPT (0.49) TXNRD1MAPTKDM4ELMNATSHR
SCHEMBL15472275 0.72 SMPD3 (0.39) TXNRD1CYP3A4ALDH1A1TDP1NCF1
SCHEMBL20476877 0.69 TXNRD1 (1.00) TXNRD1CYP3A4ALDH1A1
SCHEMBL12377663 0.69 TXNRD1 (0.46) TXNRD1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22264083 0.67 MEN1 (0.58) TXNRD1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2016-03-24 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-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, CCNO TXNRD1 1058/4885MAPT 165/4885MEN1 332/4885

“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.