SCHEMBL579786

SCHEMBL579786

CNC(=O)c1cn(F)c2cc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
BRD4 O60885 1/20 0.43
PLK1 P53350 3/20 0.41
PTPN7 P35236 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL13114120 0.84 NR4A2 (0.56) NR4A2BRD4PLK1PTPN7SRC
SCHEMBL579775 0.83 CSNK2A1 (0.44) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL579403 0.81 MAP2K2 (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL19657565 0.75 NR4A2 (0.68) NR4A2BRD4KDM4EL3MBTL1
SCHEMBL30568894 0.73 NR4A2 (0.53) NR4A2BRD4PLK1PTPN7GAA
SCHEMBL6590310 0.71 KMT2A (0.45) NR4A2MAPTSRCKDM4EMEN1
SCHEMBL5241310 0.71 NR4A2 (0.55) NR4A2BRD4PLK1PTPN7MAPT
SCHEMBL19657648 0.71 LMNA (0.51) NR4A2PTPN7MAPTKDM4EALDH1A1
SCHEMBL2799439 0.69 KDM4E (0.39) BRD4GAAKDM4EL3MBTL1ALDH1A1
SCHEMBL10085592 0.69 NR4A2 (0.56) NR4A2BRD4GAAMAPTKDM4E

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-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS NR4A2 3160/4885BRD4 113/4885PLK1 148/4885

“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.