SCHEMBL4815152

SCHEMBL4815152

O=S(=O)(c1cccs1)c1nn(CC2CCCCN2)c2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
PAX8 Q06710 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PBK Q96KB5 1/20 0.33
LTA4H P09960 1/20 0.33
MMP2 P08253 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 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
SCHEMBL4817049 0.86 KMT2A (0.46) DRD2KMT2ACACNA1BCHRNB2CHRNA4
SCHEMBL4817313 0.82 HTR6 (0.40) ALDH1A1LMNAMAPTPKMMAPK1
SCHEMBL4075106 0.71 HTR6 (0.41) KMT2AHTR6
SCHEMBL4074504 0.69 HTR6 (0.40) CHRNB2CHRNA4HTR6
SCHEMBL4813478 0.69 HTR6 (0.41) KMT2ARAB9AHTR6
SCHEMBL4070322 0.68 HTR6 (0.50) KMT2AHTR6
SCHEMBL4074489 0.68 HTR6 (0.50) KMT2AHTR6
SCHEMBL4076420 0.68 HTR6 (0.40) DRD2KMT2AALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL4073491 0.68 HTR6 (0.49) KMT2AHTR6
SCHEMBL4819457 0.67 HTR6 (0.46) KMT2ACHRNB2CHRNA4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 US claimed
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-29 US claimed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US claimed
US-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-12-11 US disclosed
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 US disclosed
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-29 US disclosed
US-7057039-B2 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-06 US disclosed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 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 (3 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-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C DRD2 86/4885KMT2A 2040/4885ALDH1A1 1029/4885
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR5A DRD2 92/4885KMT2A 2209/4885ALDH1A1 884/4885
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C DRD2 86/4885KMT2A 2040/4885ALDH1A1 1029/4885

“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.