SCHEMBL14014109

SCHEMBL14014109

COC(=O)CC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
CFD P00746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ITGB3 P05106 6/20 0.42
ITGA2B P08514 6/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PYGL P06737 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL2304534 0.89 MMP13 (0.50) CFDKDM4EMEN1KMT2AMMP2
SCHEMBL2302811 0.81 SLC6A4 (0.58) CFDITGB3ITGA2BCYP2D6SLC6A2
SCHEMBL13157412 0.81 SLC6A2 (0.43) CFDKDM4EITGB3ITGA2BMEN1
SCHEMBL2347309 0.75 HPGD (0.57) TSHRKMT2AMAPT
SCHEMBL6306108 0.72 MTNR1A (0.63)
SCHEMBL12426725 0.71 MAPT (0.40) MAPTRAB9ASLC6A2SLC6A4
SCHEMBL6161273 0.71 PYGL (0.65) PYGLEGFR
SCHEMBL27463957 0.71 PYGL (0.58) KDM4EITGB3ITGA2BTSHRPYGL
SCHEMBL3358300 0.71 HPGD (0.50) MEN1CYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL9444890 0.71 SLC6A3 (0.48) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US 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 (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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR XDH 1867/4885CFD 4599/4885KDM4E 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.