SCHEMBL3096374

SCHEMBL3096374

O=[C]Sc1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
HSD17B10 Q99714 4/20 0.63
FBP1 P09467 3/20 0.63
HPGD P15428 3/20 0.63
ADRA2A P08913 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
DRD2 P14416 1/20 0.63
ALOX15 P16050 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD1 P21728 1/20 0.63
MC5R P33032 1/20 0.63
OPRM1 P35372 1/20 0.63
DRD3 P35462 1/20 0.63
OPRK1 P41145 1/20 0.63
CCR2 P41597 1/20 0.63
HTR6 P50406 1/20 0.63
SLC6A3 Q01959 1/20 0.63
PDK1 Q15118 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL7910140 0.81 ALDH1A1 (0.63) ALDH1A1HSD17B10FBP1HPGDADRA2A
Methane SCHEMBL28380474 0.80 ALDH1A1 (0.61) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL7659929 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10FBP1HPGDADRA2A
Benzothiazyl Disulfide SCHEMBL11095350 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10FBP1HPGDADRA2A
Benzothiazyl Disulfide SCHEMBL23527 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL381557 0.78 ALDH1A1 (0.76) ALDH1A1HSD17B10FBP1HPGDADRA2A
Benzothiazyl Disulfide SCHEMBL29356396 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL30005981 0.78 ALDH1A1 (0.76) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL22188638 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10FBP1HPGDADRA2A
SCHEMBL7039987 0.77 CYP1A2 (0.67) ALDH1A1HSD17B10FBP1HPGDADRA2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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 (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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885HSD17B10 418/4885FBP1 2183/4885

“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.