SCHEMBL2358101

SCHEMBL2358101

CCOC(=O)C=C(c1ccc2c(C#N)c[nH]c2c1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.42
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ IMPDH1 P20839 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 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
SCHEMBL2358098 1.00 IMPDH2 (0.42) IMPDH2MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL2301828 0.86 IMPDH2 (0.44) IMPDH2MAPTKDM4EALDH1A1MEN1
SCHEMBL2301825 0.86 IMPDH2 (0.44) IMPDH2MAPTKDM4EALDH1A1MEN1
SCHEMBL13157435 0.83 IMPDH2 (0.42) IMPDH2MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL14038689 0.83 IMPDH2 (0.43) IMPDH2MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL13182066 0.80 IMPDH2 (0.41) IMPDH2MAPTKDM4EALDH1A1MEN1
SCHEMBL2301634 0.79 CTNNB1 (0.47) MAPTKDM4EALDH1A1CTNNB1WNT3A
SCHEMBL2301636 0.79 CTNNB1 (0.47) MAPTKDM4EALDH1A1CTNNB1WNT3A
SCHEMBL12427126 0.79 MAPT (0.43) IMPDH2MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL2302911 0.79 MAPT (0.43) IMPDH2MAPTKDM4EALDH1A1L3MBTL1

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 7 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
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-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
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 720/4885MAPT 3825/4885KDM4E 550/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR IMPDH2 720/4885MAPT 3825/4885KDM4E 550/4885

“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.

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