SCHEMBL6155763

SCHEMBL6155763

O=[N+]([O-])c1cccc(-c2ncc(Nc3cccc(Br)c3)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.48
GAA P10253 3/20 0.45
MGAM O43451 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
PKM P14618 1/20 0.45
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
XDH P47989 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PRKCA P17252 1/20 0.43
ERBB2 P04626 1/20 0.43
PTK6 Q13882 1/20 0.43
CSNK2A1 P68400 1/20 0.42
RAB9A P51151 2/20 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
SCHEMBL6153975 0.81 ROCK2 (0.62) EGFRGAAMGAMSIMGAM2
SCHEMBL6155087 0.80 KMO (0.56) EGFRGAAROCK2ROCK1PTGES
SCHEMBL2652277 0.72 MGAM (0.56) GAAMGAMSIMGAM2PKM
SCHEMBL6160095 0.72 ROCK2 (0.69) GAAMGAMSIMGAM2ROCK2
SCHEMBL9292967 0.71 TSHR (0.59) RAB9ANPC1MEN1ALDH1A1MAPT
SCHEMBL29714781 0.71 TSHR (0.59) RAB9ANPC1MEN1ALDH1A1MAPT
SCHEMBL6153835 0.71 ROCK2 (0.64) GAAMGAMSIMGAM2ROCK2
SCHEMBL23571214 0.70 TSHR (0.57) RAB9ANPC1MEN1ALDH1A1MAPT
SCHEMBL4158167 0.69 KMT2A (0.51) EGFRGAAROCK1PTGESALOX5
SCHEMBL6153784 0.68 MGAM (0.54) GAAMGAMSIMGAM2ROCK2

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 1 patent. 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 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 EGFR 1109/4885GAA 2365/4885MGAM 3845/4885

“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.