SCHEMBL5200902

SCHEMBL5200902

CN1CCN(c2cccc(CS(=O)(=O)c3ccccc3)c2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR6 P50406 6/20 0.46
DRD3 P35462 3/20 0.46
DRD2 P14416 3/20 0.46
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
NCF1 P14598 1/20 0.40
EGFR P00533 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5202577 0.81 HTR6 (0.49) LMNAHTR6DRD3DRD2HTR1A
SCHEMBL27530281 0.76 SMN1; SMN2 (0.61) LMNAPKMSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3957480 0.75 PSEN1 (0.42) LMNAPKMSMN1; SMN2HTR6L3MBTL1
SCHEMBL14609538 0.73 HTT (0.43) HTR6ALDH1A1HTTGAAKMT2A
SCHEMBL5201891 0.73 HTT (0.43) PKMSMN1; SMN2ALDH1A1HTTGAA
SCHEMBL3533079 0.73 HTT (0.43) LMNASMN1; SMN2ALDH1A1HTTGAA
SCHEMBL27530283 0.73 LMNA (0.49) LMNAPKMSMN1; SMN2HTR6DRD3
SCHEMBL12128754 0.73 MAPT (0.52) LMNAPKMSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27763626 0.72 ALDH1A1 (0.52) LMNASMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL28954882 0.72 LMNA (0.65) LMNAPKMSMN1; SMN2L3MBTL1ALDH1A1

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 9 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 disclosed
CN-1257892-C New indole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2006-05-31 CN 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
CN-1527816-A Novel indole derivatives having 5-HT 6 receptor affinity - 2004-09-08 CN 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
EP-1401813-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. Hoffman-la Roche AG (CH) 2004-03-31 EP 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
WO-2002098857-A1 NEW INDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 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 (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 LMNA 4179/4885PKM 3447/4885SMN1; SMN2 4534/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 LMNA 4282/4885PKM 3560/4885SMN1; SMN2 4247/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 LMNA 4112/4885PKM 3404/4885SMN1; SMN2 4172/4885

“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.