SCHEMBL5201185

SCHEMBL5201185

O=S(=O)(c1cccc(Cl)c1Cl)c1c[nH]c2ccc(N3CCNCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2B P41595 5/20 0.44
HTR2C P28335 4/20 0.44
HTR1A P08908 3/20 0.44
ADRB1 P08588 3/20 0.44
HTR7 P34969 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5202507 0.91 HTR6 (0.52) HTR6MEN1KMT2AHTR2BHTR2C
SCHEMBL5203296 0.83 HTR6 (0.66) HTR6MEN1KMT2AHTR2BHTR2C
SCHEMBL5971998 0.81 MEN1 (0.46) HTR6MEN1KMT2AHTR2BHTR2C
SCHEMBL5202164 0.81 ADRB1 (0.52) HTR6MEN1KMT2AADRB1DRD2
SCHEMBL1136477 0.81 HTR6 (0.55) HTR6MEN1KMT2AHTR2BHTR2C
SCHEMBL1136545 0.81 HTR6 (0.52) HTR6MEN1KMT2AHTR2BHTR2C
SCHEMBL5201164 0.81 HTR6 (0.62) HTR6
SCHEMBL5971964 0.80 HTR6 (0.47) HTR6HTR2BHTR2CHTR1AADRB1
Hydrochloric Acid SCHEMBL5205751 0.80 HTR6 (0.63) HTR6
SCHEMBL5972078 0.80 ADRB1 (0.44) HTR6MEN1KMT2AHTR2BHTR2C

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-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP claimed
US-6787535-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON'S DISEASE, HUNTINGTON'S DISEASE; PSYCOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-07 US claimed
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity SYNTEX (U.S.A.) LLC, NAME CHANGE TO ROCHE PALO ALTO LLC 2003-04-17 US claimed
EP-1401813-B1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN C (US) 2005-08-04 US disclosed
US-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity BEARD COLIN CHARLES (US) 2004-12-09 US disclosed
US-6787535-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON'S DISEASE, HUNTINGTON'S DISEASE; PSYCOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-09-07 US disclosed
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity SYNTEX (U.S.A.) LLC, NAME CHANGE TO ROCHE PALO ALTO LLC 2003-04-17 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-20040248902-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885MEN1 2621/4885KMT2A 4066/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885MEN1 2567/4885KMT2A 3835/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 HTR6 1/4885MEN1 2644/4885KMT2A 3936/4885

“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.