SCHEMBL10118903

SCHEMBL10118903

CCNCc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.62
CHKA P35790 2/20 0.53
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ADRA2C P18825 1/20 0.50
GFER P55789 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
ACE2 Q9BYF1 1/20 0.49
POLB P06746 2/20 0.47
GALR3 O60755 1/20 0.44
HTR6 P50406 1/20 0.44
SIRT6 Q8N6T7 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
SCHEMBL3440204 0.82 NCF1 (0.87) NCF1CHKAGAAL3MBTL1ALDH1A1
SCHEMBL23059522 0.82 ALDH1A1 (0.50) NCF1GAAL3MBTL1ALDH1A1KMT2A
SCHEMBL6528387 0.81 NCF1 (0.64) NCF1CHKAGAAL3MBTL1ALDH1A1
SCHEMBL18539240 0.81 NCF1 (0.64) NCF1CHKAGAAL3MBTL1ALDH1A1
SCHEMBL8353735 0.80 CHKA (0.57) NCF1CHKAGAAL3MBTL1ALDH1A1
SCHEMBL22794721 0.80 NCF1 (0.62) NCF1CHKAGAAL3MBTL1ALDH1A1
SCHEMBL13657312 0.80 NCF1 (0.55) NCF1CHKAGAAL3MBTL1ALDH1A1
SCHEMBL178275 0.80 ALDH1A1 (0.63) NCF1CHKAGAAL3MBTL1ALDH1A1
SCHEMBL13973336 0.79 DRD4 (0.64) GAAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL24641978 0.79 MAPT (0.56) NCF1GAAMAPTADRA2CHTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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 (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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 NCF1 734/4885CHKA 161/4885GAA 2495/4885

“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.