SCHEMBL950574

SCHEMBL950574

COc1ccc2[nH]cc(C(O)S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
SRC P12931 2/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
NR4A2 P43354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL950480 0.93 HTR2A (0.55) MAPTALDH1A1GAAHTR2AHTR2C
SCHEMBL948778 0.89 MAPT (0.61) MAPTALDH1A1GAAHTR2AHTR2C
SCHEMBL948641 0.88 HTR2A (0.51) MAPTALDH1A1GAAHTR2AHTR2C
SCHEMBL946609 0.88 SMN1; SMN2 (0.58) MAPTALDH1A1GAAHTR2AHTR2C
SCHEMBL4794714 0.87 HTR2A (0.53) MAPTALDH1A1GAAHTR2AHTR2C
SCHEMBL945682 0.85 NR3C1 (0.55) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL949737 0.84 HTR2A (0.49) MAPTALDH1A1GAAHTR2AHTR2C
SCHEMBL946625 0.83 HTR2A (0.45) MAPTGAAHTR2AHTR2CHTR2B
SCHEMBL950364 0.83 MEN1 (0.56) MAPTALDH1A1HTR2AHTR2CHTR2B
SCHEMBL4769973 0.82 HTR2B (0.52) MAPTALDH1A1GAAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 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 (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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C MAPT 123/4885ALDH1A1 3230/4885GAA 4706/4885

“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.