SCHEMBL21046089

SCHEMBL21046089

O=C(O)c1ccc(CSc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
POLB P06746 2/20 0.54
GSTP1 P09211 1/20 0.53
GSTM2 P28161 1/20 0.53
ALDH1A1 P00352 4/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL30498938 0.86 MEN1 (1.00) MEN1KMT2APOLBGSTP1GSTM2
SCHEMBL393514 0.86 MEN1 (1.00) MEN1KMT2APOLBGSTP1GSTM2
SCHEMBL5797619 0.83 MEN1 (0.77) MEN1KMT2APOLBALDH1A1CYP2C9
SCHEMBL21046088 0.81 KMT2A (0.50) MEN1KMT2APOLBGSTP1GSTM2
SCHEMBL11195250 0.80 POLB (0.61) MEN1KMT2APOLBALDH1A1CYP2C9
SCHEMBL5795803 0.80 KMT2A (0.71) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL13401781 0.78 MEN1 (0.65) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL18158937 0.77 MEN1 (0.60) MEN1KMT2APOLBGSTP1GSTM2
SCHEMBL15227431 0.76 MEN1 (0.66) MEN1KMT2APOLBALDH1A1CYP2C9
SCHEMBL15227436 0.76 MEN1 (0.66) MEN1KMT2APOLBALDH1A1CYP2C9

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-10829512-B2 Selective disulfidation reagent using nitrogen-containing compound and method for producing disulfide-containing compound TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2020-11-10 US claimed
US-20190169228-A1 SELECTIVE DISULFIDATION REAGENT USING NITROGEN-CONTAINING COMPOUND AND METHOD FOR PRODUCING DISULFIDE-CONTAINING COMPOUND TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2019-06-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20190169228-A1 SELECTIVE DISULFIDATION REAGENT USING NITROGEN-CONTAINING COMPOUND AND METHOD FOR PRODUCING DISULFIDE-CONTAINING COMPOUND TST, SULT1A1, STS MEN1 1486/4885KMT2A 2418/4885POLB 4463/4885
US-10829512-B2 Selective disulfidation reagent using nitrogen-containing compound and method for producing disulfide-containing compound TST, SULT1A1, STS MEN1 1486/4885KMT2A 2418/4885POLB 4463/4885

“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.