SCHEMBL5201324

SCHEMBL5201324

Cc1cccc(OS(=O)(=O)C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 4/20 0.46
TP53 P04637 1/20 0.41
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 2/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
MAPT P10636 2/20 0.36
HTR1D P28221 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5781349 0.84 MAPT (0.37) ALDH1A1TDP1SMN1; SMN2DRD2DRD3
SCHEMBL18620363 0.82 PDE4A (0.36) ALDH1A1TDP1DRD2DRD3PDE4A
SCHEMBL16958356 0.78 ALDH1A1 (0.58) ALDH1A1TDP1TSHRTP53HPGD
SCHEMBL6934553 0.78 MAPT (0.43) ALDH1A1DRD2DRD3DRD1DRD4
SCHEMBL30665126 0.77 DRD2 (0.42) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL2984151 0.77 DRD2 (0.42) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
Hydrogen Sulfide SCHEMBL27838727 0.76 MAPT (0.42) ALDH1A1DRD2DRD3DRD1DRD4
Hydrogen Sulfide SCHEMBL28795253 0.76 DRD2 (0.41) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL1616513 0.76 ALDH1A1 (0.69) ALDH1A1TDP1TSHRTP53HPGD
SCHEMBL19948194 0.75 DRD2 (0.41) DRD2DRD3DRD1DRD4DRD5

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 13 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
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
EP-0530335-B1 DIPHOSPHONIC ACID DERIVATES AS INTERMEDIATES FOR THE PRODUCTION OF DIPHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 1996-08-14 EP disclosed
EP-0530335-A1 DIPHOSPHONIC ACID DERIVATES AS INTERMEDIATES FOR THE PRODUCTION OF DIPHOSPHINE LIGANDS. HOFFMANN LA ROCHE (CH) 1993-03-10 EP disclosed
WO-1992016535-A1 DIPHOSPHONIC ACID DERIVATES AS INTERMEDIATES FOR THE PRODUCTION OF DIPHOSPHINE LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 1992-10-01 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 ALDH1A1 1833/4885TDP1 3604/4885TSHR 182/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 ALDH1A1 2354/4885TDP1 3797/4885TSHR 137/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 ALDH1A1 1394/4885TDP1 3335/4885TSHR 176/4885

“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.