SCHEMBL5202115

SCHEMBL5202115

O=[N+]([O-])c1ccccc1C1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
FGB P02675 1/20 0.40
S100A4 P26447 1/20 0.40
KEAP1 Q14145 1/20 0.40
PLEC Q15149 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ACHE P22303 1/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
POLB P06746 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
SCHEMBL1110500 0.79 TDP1 (0.41) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL5674530 0.78 KMT2A (0.41) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL27735346 0.78 TDP1 (0.47) KMT2AMEN1MAPTGAATDP1
SCHEMBL8810623 0.77 CYP2C19 (0.46) KMT2AMEN1MAPTL3MBTL1CYP2D6
SCHEMBL6974296 0.77 TDP1 (0.43) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL28867388 0.77 HPGD (0.37) KMT2AMEN1KDM4ETDP1CYP2D6
SCHEMBL1065970 0.76 MEN1 (0.47) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL27862714 0.76 MEN1 (0.35) KMT2AMEN1L3MBTL1ACHECHRNB2
SCHEMBL27714475 0.76 ALDH1A1 (0.46) KMT2AMEN1MAPTGAATDP1
SCHEMBL1110575 0.76 MAPT (0.44) KMT2AMEN1MAPTKDM4EL3MBTL1

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 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
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
WO-1997003077-A1 BENZ- OR PYRIDO-IMIDAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 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 KMT2A 4066/4885MEN1 2621/4885MAPT 3221/4885
US-20050171118-A1 New indole derivatives with 5-HT6 receptor affinity HTR6, HTR5A, HTR7 KMT2A 3835/4885MEN1 2567/4885MAPT 3322/4885
US-20030073700-A1 New indole derivatives with 5HT6 receptor affinity HTR6, HTR5A, HTR7 KMT2A 3936/4885MEN1 2644/4885MAPT 3421/4885

“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.