SCHEMBL18158937

SCHEMBL18158937

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 6/20 0.46
CYP2C9 P11712 2/20 0.46
GSTP1 P09211 2/20 0.45
GSTM2 P28161 2/20 0.45
APEX1 P27695 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
CASP6 P55212 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
ADORA1 P30542 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL18158947 0.87 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL18158949 0.87 MEN1 (0.54) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL15227011 0.82 MEN1 (0.63) MEN1KMT2AALDH1A1CYP2C9GSTP1
SCHEMBL15227594 0.82 SMN1; SMN2 (0.66) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL15227162 0.82 MEN1 (0.63) MEN1KMT2AALDH1A1GSTP1GSTM2
SCHEMBL21081382 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1817217 0.78 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL21046089 0.77 MEN1 (0.76) MEN1KMT2AALDH1A1CYP2C9GSTP1
SCHEMBL29859154 0.76 TSHR (0.47) ALDH1A1APEX1CASP6LMNASMN1; SMN2
SCHEMBL18397215 0.76 TSHR (0.47) ALDH1A1APEX1CASP6LMNASMN1; 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.