SCHEMBL2301828

SCHEMBL2301828

CCOC(=O)C=C(c1ccccc1)c1ccc2c(C#N)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ IMPDH1 P20839 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ EP300 Q09472 11/20 0.36
▸ HAT1 O14929 10/20 0.36

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
SCHEMBL2301825 1.00 IMPDH2 (0.44) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL2302908 0.92 MAPT (0.43) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL2302911 0.92 MAPT (0.43) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL12427126 0.92 MAPT (0.43) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL2358101 0.86 IMPDH2 (0.42) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL2358098 0.86 IMPDH2 (0.42) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL13157428 0.81 MAPT (0.41) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL2302790 0.81 KDM4E (0.36) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL12427606 0.81 KDM4E (0.36) IMPDH2KDM4EMAPTMEN1KMT2A
SCHEMBL2302793 0.81 KDM4E (0.36) IMPDH2KDM4EMAPTMEN1KMT2A

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

“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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