SCHEMBL579650

SCHEMBL579650

Cc1c(F)ccc(N)c1I

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
PIK3CA P42336 1/20 0.35
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12516965 0.79 ACHE (0.33)
SCHEMBL5241664 0.77 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL2284180 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL30181273 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL1085636 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL9229801 0.75 CYP3A4 (0.39) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL3867828 0.75 ALDH1A1 (0.39) ALDH1A1
Hydrochloric Acid SCHEMBL3213353 0.73 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL23153960 0.71 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL9293416 0.71 CYP3A4 (0.38) ALDH1A1CYP3A4TSHRPIK3CATDP1

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 5 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
CN-102695704-A Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS INC 2012-09-26 CN 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 ALDH1A1 2672/4885CYP3A4 1375/4885TSHR 4195/4885

“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.