SCHEMBL1712137

SCHEMBL1712137

[c]1ccc(Cc2ccsc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 3/20 0.41
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
IDH1 O75874 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PNP P00491 4/20 0.33

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
SCHEMBL27290887 0.98 TAAR1 (0.42) TAAR1LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL9357255 0.83 TAAR1 (0.56) TAAR1LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL320687 0.78 CALM1 (0.44) ALDH1A1KMT2AHSD17B10
SCHEMBL2089546 0.77 CALM1 (0.57) TAAR1LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL1176609 0.75 ALDH1A1 (0.45) LTA4HCYP17A1CYP11B1CYP11B2IDH1
SCHEMBL1680523 0.74 TAAR1 (0.54) TAAR1LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL28180421 0.74 LTA4H (0.44) TAAR1LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL27968336 0.74 DRD2 (0.44) TAAR1LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL5652167 0.74 ESR1 (0.61) TAAR1LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL8304372 0.74 PTGS1 (0.45) TAAR1LTA4HCYP17A1CYP11B1CYP11B2

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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-4721712-A 1,3-disubstituted 2-oxindoles as analgesic and anti-inflammatory agents PFIZER INC. (US) 1988-01-26 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-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TAAR1 1429/4885LTA4H 3981/4885CYP17A1 1101/4885

“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.