SCHEMBL3408302

SCHEMBL3408302

COCCNC(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
APAF1 O14727 1/20 0.44
THRB P10828 1/20 0.44
PABPC1 P11940 1/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGDS O60760 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL3409176 0.89 ATM (0.41) POLBHPGDSNPC1EPHX2HTT
SCHEMBL3400060 0.87 EPHX2 (0.50) SMN1; SMN2KMT2AMAPTMEN1PTPN7
SCHEMBL3411432 0.86 EPHX2 (0.38) ALDH1A1SMN1; SMN2KDM4ELMNAHPGDS
SCHEMBL4109646 0.86 EPHX1 (0.42) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL3406496 0.85 EPHX1 (0.50) POLBNPC1EPHX2TAOK3
SCHEMBL3415257 0.85 HPGDS (0.46) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL3411790 0.85 NPC1 (0.42) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3405721 0.85 NPC1 (0.47) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL4117909 0.85 PRMT3 (0.36) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3401633 0.85 HPGDS (0.51) ALDH1A1POLBSMN1; SMN2KMT2AMAPT

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
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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 (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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A ALDH1A1 1203/4885POLB 4179/4885SMN1; SMN2 3345/4885

“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.