SCHEMBL5698343

SCHEMBL5698343

O=[N+]([O-])c1cccc2c1ccn2S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HTR6 P50406 7/20 0.52
HTR2A P28223 1/20 0.52
BCHE P06276 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.43
FABP4 P15090 2/20 0.43
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL3241536 0.81 HTR6 (0.61) METALDH1A1HTR6HTR2AKMT2A
SCHEMBL29687030 0.81 HTR6 (0.61) METALDH1A1HTR6HTR2AKMT2A
SCHEMBL5698367 0.79 HTR6 (0.56) ALDH1A1HTR6HTR2ABCHEKMT2A
SCHEMBL11244064 0.76 HTR6 (0.53) METHTR6HTR2AKMT2AMEN1
SCHEMBL4384956 0.76 HTR6 (0.53) METHTR6HTR2AKMT2AMEN1
SCHEMBL30958262 0.76 HTR6 (0.53) METHTR6HTR2AKMT2AMEN1
SCHEMBL6587948 0.75 MET (0.46) METALDH1A1HTR6HTR2AKMT2A
SCHEMBL28746133 0.75 ALDH1A1 (0.44) METALDH1A1HTR6HTR2AKMT2A
SCHEMBL57184 0.72 ALDH1A1 (1.00) ALDH1A1TDP1POLBATM
SCHEMBL29378762 0.72 ALDH1A1 (1.00) ALDH1A1TDP1POLBATM

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
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP disclosed
US-6790848-B2 TREATING CENTRAL NERVOUS SYSTEM OR GASTROINTESTINAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-14 US disclosed
EP-1401812-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
US-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-03-06 US disclosed
WO-2002102774-A1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-27 WO 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-20030045527-A1 4-piperazinylindole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR3A MET 587/4885ALDH1A1 962/4885HTR6 1/4885

“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.