SCHEMBL6155952

SCHEMBL6155952

COc1cc(OC)c(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MGAM O43451 3/20 0.50
GAA P10253 3/20 0.50
SI P14410 3/20 0.50
MGAM2 Q2M2H8 3/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.45
AMY1A P0DUB6 1/20 0.45
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KMO O15229 2/20 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
SCHEMBL6683766 0.83 MGAM (0.54) MAPTMGAMGAASIMGAM2
SCHEMBL6154694 0.81 MGAM (0.55) MAPTMGAMGAASIMGAM2
SCHEMBL6153413 0.78 CSNK2A2 (0.62) MAPTMGAMGAASIMGAM2
SCHEMBL6155442 0.77 ROCK2 (0.64) MAPTMGAMGAASIMGAM2
SCHEMBL6160095 0.76 ROCK2 (0.69) MAPTMGAMGAASIMGAM2
SCHEMBL6155483 0.75 CSNK2A2 (0.59) MAPTMGAMGAASIMGAM2
SCHEMBL6157444 0.75 ROCK2 (0.67) MAPTMGAMGAASIMGAM2
SCHEMBL6154245 0.74 ROCK2 (0.61) MAPTMGAMGAASIMGAM2
SCHEMBL10119699 0.74 MEN1 (0.51) MAPTMGAMGAASIMGAM2
SCHEMBL633393 0.74 KMO (0.72) MGAMGAASIMGAM2PKM

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAPT 3318/4885MGAM 3845/4885GAA 2365/4885

“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.