SCHEMBL18786142

SCHEMBL18786142

CSCSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 4/20 0.49
KMT2A Q03164 1/20 0.49
RECQL P46063 1/20 0.48
POLB P06746 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
HSD17B3 P37058 1/20 0.43

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
SCHEMBL1492578 0.83 KDM4E (0.55) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL1492538 0.82 ALDH1A1 (0.59) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13539390 0.79 ALDH1A1 (0.56) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3506729 0.78 KDM4E (0.77) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL25358 0.78 KDM4E (0.62) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL29402979 0.78 KDM4E (0.62) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
Hydrogen Sulfide SCHEMBL21332206 0.77 KDM4E (0.60) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3249905 0.77 ALDH1A1 (0.55) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL4485136 0.77 KDM4E (0.53) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL5321709 0.76 TDP1 (0.57) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT

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-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 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-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY ALDH1A1 143/4885RAB9A 3224/4885KDM4E 3411/4885

“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.