SCHEMBL2588264

SCHEMBL2588264

O=S(=O)(Cc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A2 P23975 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FEN1 P39748 1/20 0.44
DAO P14920 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 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
SCHEMBL2594432 0.88 L3MBTL1 (0.52) CYP19A1ALDH1A1GAALMNATSHR
SCHEMBL2586269 0.88 LMNA (0.52) CYP19A1ALDH1A1GAAMEN1KMT2A
SCHEMBL15416652 0.81 ALDH1A1 (0.54) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL30897273 0.81 ALDH1A1 (0.54) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL27605196 0.79 ALDH1A1 (0.47) CYP19A1ALDH1A1GAAMEN1KMT2A
SCHEMBL28320627 0.79 ALDH1A1 (0.63) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL27148809 0.76 SLC22A6 (0.50) ALDH1A1GAAMEN1KMT2ASIRT2
SCHEMBL28939777 0.74 SLC22A6 (0.49) ALDH1A1GAAMEN1KMT2APKM
SCHEMBL9353617 0.74 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL2037678 0.74 MET (0.59) CYP19A1ALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
EP-1509501-B1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND -INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-12-20 EP disclosed
US-6727246-B2 ENHANCEMENT OF COGNITION AND MEMORY IN HUMAN DISEASES SUCH AS ALZHEIMER'S WYETH 2004-04-27 US disclosed
US-20030232828-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND-INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH 2003-12-18 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-20030232828-A1 1-(AMINOALKYL)-3-SULFONYLINDOLE AND-INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR3A, HTR5A CYP19A1 2754/4885ALDH1A1 633/4885GAA 4181/4885

“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.