SCHEMBL2300728

SCHEMBL2300728

N#Cc1c[nH]c2cc(C(CCO)c3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.50
IMPDH1 P20839 1/20 0.49
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
EP300 Q09472 11/20 0.37
HAT1 O14929 10/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2357362 0.91 IMPDH2 (0.48) IMPDH2IMPDH1SLC6A2SLC6A4SLC6A3
SCHEMBL2303415 0.87 IMPDH2 (0.48) IMPDH2IMPDH1SLC6A2SLC6A4SLC6A3
SCHEMBL14038673 0.85 IMPDH2 (0.51) IMPDH2IMPDH1SLC6A2SLC6A4SLC6A3
SCHEMBL2300147 0.85 SLC6A4 (0.56) IMPDH2IMPDH1SLC6A2SLC6A4SLC6A3
SCHEMBL2304617 0.78 IMPDH2 (0.45) IMPDH2IMPDH1EP300HAT1CYP2D6
SCHEMBL2300563 0.78 IMPDH2 (0.48) IMPDH2IMPDH1SLC6A2SLC6A4SLC6A3
SCHEMBL2303939 0.78 IMPDH2 (0.36) IMPDH2IMPDH1SLC6A2SLC6A4EP300
SCHEMBL2302021 0.78 DYRK1A (0.47) IMPDH2IMPDH1SLC6A2SLC6A4CYP19A1
SCHEMBL13157425 0.76 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3EP300HAT1
SCHEMBL2356125 0.75 IMPDH2 (0.41) IMPDH2IMPDH1SLC6A2SLC6A4EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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 (2 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR IMPDH2 720/4885IMPDH1 369/4885SLC6A2 1181/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR IMPDH2 720/4885IMPDH1 369/4885SLC6A2 1181/4885

“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.