SCHEMBL579036

SCHEMBL579036

N#Cc1cn(C2CCC2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.51
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
XDH P47989 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
STAT3 P40763 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7156290 0.80 MAPT (0.46) IMPDH2MAPTPKMALDH1A1MEN1
SCHEMBL12107218 0.79 XDH (0.43) IMPDH2XDH
SCHEMBL579098 0.79 XDH (0.43) XDHKDM4EALDH1A1MEN1KMT2A
SCHEMBL579314 0.79 XDH (0.43) MAPTPKMXDH
SCHEMBL2877901 0.79 XDH (0.46) XDH
SCHEMBL579383 0.78 XDH (0.42) MAPTPKMXDH
SCHEMBL8513959 0.77 ELANE (0.55) XDH
SCHEMBL28610394 0.76 XDH (0.48) XDH
SCHEMBL28587433 0.76 XDH (0.54) MAPTXDHKDM4EALDH1A1TDP1
SCHEMBL579200 0.76 XDH (0.41) MAPTXDHKDM4EALDH1A1MEN1

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 IMPDH2 53/4885MAPT 2591/4885PKM 3148/4885

“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.