SCHEMBL6154927

SCHEMBL6154927

O=[N+]([O-])c1ccc(Cl)c(N=C=S)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
VCAM1 P19320 1/20 0.50
HTT P42858 2/20 0.43
KMT2A Q03164 4/20 0.41
AMY1A P0DUB6 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE7A Q13946 2/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1457247 0.87 HSD17B10 (0.55) HSD17B10VCAM1HTTKMT2AALDH1A1
SCHEMBL29471402 0.87 HSD17B10 (0.55) HSD17B10VCAM1HTTKMT2AALDH1A1
SCHEMBL1940462 0.85 HSD17B10 (0.56) HSD17B10VCAM1HTTKMT2AAMY1A
SCHEMBL206851 0.84 TSHR (0.42) HSD17B10VCAM1HTTKMT2AALDH1A1
SCHEMBL28189423 0.83 HSD17B10 (0.50) HSD17B10VCAM1HTTKMT2AALDH1A1
SCHEMBL3368739 0.80 ALDH1A1 (0.55) HSD17B10HTTKMT2AALDH1A1TDP1
SCHEMBL10184953 0.80 ALDH1A1 (0.51) HSD17B10HTTKMT2AALDH1A1TDP1
SCHEMBL7607391 0.78 TDP1 (0.50) HSD17B10HTTKMT2AALDH1A1TDP1
SCHEMBL18561729 0.77 HSD17B10 (0.60) HSD17B10VCAM1HTTKMT2AAMY1A
SCHEMBL7121492 0.77 ALDH1A1 (0.55) HSD17B10HTTKMT2AALDH1A1TDP1

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 12 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
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
US-4891323-A QUANTITATIVE ANALYSIS OREAD LABORATORIES, INC. (US) 1990-01-02 US disclosed
US-4471117-A ANTIDEPRESSANTS AND ANTI-PARKINSON AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1984-09-11 US disclosed
EP-0021807-B1 3,4-DIHYDRO-2H-PYRIMIDO (2,1-B) BENZOTHIAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-03-09 EP disclosed
EP-0021806-B1 2,3-DIHYDRO-IMIDAZO (2,1-B) BENZOTHIAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-12 EP disclosed
US-4364942-A ANTIDEPRESSANTS, INHIBITORS OF MONOAMINE OXIDASE JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-21 US disclosed
US-4340738-A ENZYME INHIBITORS, ANTIDEPRESSANTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-07-20 US disclosed
US-4262004-A MONOAMINE OXIDASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 1981-04-14 US disclosed
EP-0021806-A1 2,3-Dihydro-imidazo (2,1-b) benzothiazole derivatives and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-07 EP disclosed
EP-0021807-A1 3,4-Dihydro-2H-pyrimido (2,1-b) benzothiazoles and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-07 EP 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP HSD17B10 3147/4885VCAM1 1130/4885HTT 1854/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 HSD17B10 955/4885VCAM1 3710/4885HTT 284/4885

“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.