Sugi Predict

Sugi Predict / Compounds / SCHEMBL12426700

SCHEMBL12426700

SCHEMBL12426700

CNCC[C@@H](c1ccc2cn[nH]c2c1)C1C=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.39
▸ MAPT P10636 8/20 0.39
▸ KDM4E B2RXH2 8/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ F2 P00734 2/20 0.39
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12426935 0.80 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12426737 0.78 ADRB3 (0.33) MAPK1
SCHEMBL12427587 0.77 BRD4 (0.32) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL5118448 0.71 SLC6A4 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2301953 0.71 SLC6A4 (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2301957 0.71 SLC6A4 (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2302048 0.71 SLC6A4 (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12427149 0.69 KDM4E (0.33) ALDH1A1KDM4EHPGD
SCHEMBL2303500 0.67 SLC6A2 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL84390 0.66 MAPT (0.60) ALDH1A1MAPTKDM4EMEN1KMT2A

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-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
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 ALDH1A1 191/4885MAPT 3825/4885KDM4E 550/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR ALDH1A1 191/4885MAPT 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.