SCHEMBL5971998

SCHEMBL5971998

O=S(=O)(c1ccc(N2CCNCC2)cc1Cl)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB1 P08588 4/20 0.46
HTR6 P50406 11/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 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
SCHEMBL5972078 0.89 ADRB1 (0.44) MEN1KMT2AADRB1HTR6HTR3E
SCHEMBL5971891 0.88 MEN1 (0.48) MEN1KMT2AHTR6SIGMAR1HTR1A
SCHEMBL5971964 0.88 HTR6 (0.47) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL5972111 0.86 POLB (0.53) MEN1KMT2AADRB1HTR6HTR3E
SCHEMBL5202507 0.85 HTR6 (0.52) MEN1KMT2AADRB1HTR6HTR3E
SCHEMBL1136477 0.84 HTR6 (0.55) MEN1KMT2AADRB1HTR6HTR3E
SCHEMBL28920403 0.83 HTR6 (0.60) MEN1KMT2AADRB1HTR6HTR3E
SCHEMBL30091179 0.83 HTR6 (0.60) MEN1KMT2AADRB1HTR6HTR3E
SCHEMBL1136545 0.82 HTR6 (0.52) MEN1KMT2AADRB1HTR6HTR3E
SCHEMBL5203296 0.81 HTR6 (0.66) MEN1KMT2AADRB1HTR6HTR3E

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
EP-1556037-B1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-11-02 EP claimed
EP-1556037-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP claimed
WO-2004035047-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-29 WO claimed
EP-1556037-B1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-11-02 EP disclosed
US-7022708-B2 4-piperazinyl benzenesulfonyl indoles and uses thereof ROCHE PALO ALTO LLC (US) 2006-04-04 US disclosed
EP-1556037-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
US-20040087593-A1 4-Piperazinyl benzenesulfonyl indoles and uses thereof ROCHE PALO ALTO LLC 2004-05-06 US disclosed
WO-2004035047-A1 4-PIPERAZINYL BENZENESULFONYL INDOLES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-04-29 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-20040087593-A1 4-Piperazinyl benzenesulfonyl indoles and uses thereof HTR6, HTR4, HTR5A MEN1 4043/4885KMT2A 2696/4885ADRB1 40/4885

“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.