SCHEMBL18158949

SCHEMBL18158949

CNC(=O)c1cnc(SCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
PKM P14618 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADORA1 P30542 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL18158937 0.87 MEN1 (0.60) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL18158947 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL21081382 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL15227594 0.79 SMN1; SMN2 (0.66) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL18158922 0.78 PSMD14 (0.42) MEN1KMT2AALDH1A1LMNASLC6A2
SCHEMBL15227162 0.77 MEN1 (0.63) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL15227011 0.77 MEN1 (0.63) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL18158939 0.74 PSMD14 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1816404 0.71 L3MBTL1 (0.61) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL21081348 0.71 POLB (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 US disclosed
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 MEN1 514/4885KMT2A 4096/4885ALDH1A1 4185/4885

“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.