SCHEMBL18158947

SCHEMBL18158947

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 3/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
VCAM1 P19320 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 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
SCHEMBL18158937 0.87 MEN1 (0.60) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL18158949 0.86 MEN1 (0.54) MEN1KMT2AL3MBTL1PKMMAPT
SCHEMBL21081348 0.84 POLB (0.48) MEN1KMT2APOLBL3MBTL1MAPK1
SCHEMBL2922457 0.81 MAPK1 (0.49) KMT2APOLBL3MBTL1MAPK1MAPT
SCHEMBL21081335 0.81 MAPK1 (0.49) MEN1KMT2APOLBL3MBTL1MAPK1
SCHEMBL1816404 0.81 L3MBTL1 (0.61) MEN1KMT2APOLBL3MBTL1PKM
SCHEMBL11973051 0.80 POLB (0.72) POLBMAPTALDH1A1LMNANPC1
SCHEMBL15227594 0.79 SMN1; SMN2 (0.66) MEN1KMT2APOLBL3MBTL1MAPT
SCHEMBL72991 0.79 MAPT (0.54) MEN1KMT2APOLBL3MBTL1MAPK1
SCHEMBL29859096 0.79 MAPT (0.54) MEN1KMT2APOLBL3MBTL1MAPK1

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 4096/4885POLB 4078/4885

“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.