SCHEMBL6153829

SCHEMBL6153829

O=[N+]([O-])c1cccc(CNc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.53
KCNN3 Q9UGI6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.48
SERPINE1 P05121 1/20 0.47

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
SCHEMBL12218459 0.88 MAPT (0.62) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL10938044 0.84 PTPRF (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7338580 0.81 PTPRF (0.69) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL6754268 0.80 MAPT (0.56) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL25920577 0.80 MAPT (0.62) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL30301289 0.80 CYP1A2 (0.65) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL25920592 0.79 ALDH1A1 (0.61) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL13623067 0.79 ALDH1A1 (0.61) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL5605070 0.78 PTPRF (0.69) MAPTALDH1A1KDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL1075280 0.78 ALDH1A1 (0.60) MAPTALDH1A1KDM4ETDP1MEN1

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 3 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 disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO 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 3318/4885ALDH1A1 961/4885KDM4E 1133/4885

“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.