SCHEMBL6153541

SCHEMBL6153541

COC(=O)c1cccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CSNK2A1 P68400 2/20 0.53
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
PKM P14618 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6160095 0.85 ROCK2 (0.69) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6153413 0.84 CSNK2A2 (0.62) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6153808 0.82 ROCK2 (0.62) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6155483 0.82 CSNK2A2 (0.59) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6153848 0.82 ROCK2 (0.59) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6153975 0.80 ROCK2 (0.62) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6154247 0.80 ROCK2 (0.60) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6070180 0.80 BLM (0.49) ROCK2ROCK1MAPTALDH1A1LMNA
SCHEMBL6157444 0.80 ROCK2 (0.67) ROCK2ROCK1MEN1KMT2AMAPT
SCHEMBL6154361 0.79 KDM4E (0.60) ROCK2ROCK1MEN1KMT2AMAPT

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 ROCK2 3224/4885ROCK1 3290/4885MEN1 4329/4885

“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.