SCHEMBL579481

SCHEMBL579481

CC(C)Sn1cc(C#N)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.56
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 6/20 0.44
STAT3 P40763 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A2 P23975 1/20 0.39
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL8266974 0.75 IMPDH2 (0.61) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL31106988 0.75 IMPDH2 (0.61) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL30344324 0.72 IMPDH2 (1.00) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL1778037 0.72 IMPDH2 (1.00) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL22320202 0.70 IMPDH2 (0.54) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL3980032 0.68 IMPDH2 (0.61) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL27947289 0.68 IMPDH2 (0.61) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL27796390 0.68 IMPDH2 (0.61) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL6922436 0.68 IMPDH2 (0.61) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL2192348 0.68 ALDH1A1 (0.71) IMPDH2ALDH1A1SMN1; SMN2KMT2ATDP1

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 53/4885ALDH1A1 2672/4885SMN1; SMN2 4621/4885

“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.