SCHEMBL586773

SCHEMBL586773

O=S(=O)(CCCc1cccnc1)Nc1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.48
GLO1 Q04760 1/20 0.46
CNR1 P21554 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 2/20 0.40
MAP2K1 Q02750 1/20 0.40
ADRB2 P07550 1/20 0.40
CYP2A6 P11509 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10325404 0.93 IDO1 (0.53) IDO1GLO1CNR1KDM4EHSD17B10
SCHEMBL8533229 0.81 GLO1 (0.62) GLO1KDM4E
SCHEMBL10325728 0.77 IDO1 (0.46) IDO1CNR1KDM4EHSD17B10CYP19A1
SCHEMBL10373390 0.71 KDM4E (0.47) CNR1KDM4EHSD17B10CYP2A6
SCHEMBL11004057 0.68 TDP1 (0.59) TBXAS1CYP2A6TDP1L3MBTL1
SCHEMBL19050214 0.67 IDO1 (0.57) IDO1CNR1KDM4EHSD17B10CYP19A1
SCHEMBL32679839 0.66 CA2 (0.56) CNR1KDM4EHSD17B10CYP2A6
SCHEMBL5268525 0.66 CA2 (0.47) CNR1KDM4EHSD17B10CYP2A6
SCHEMBL26220113 0.65 IDO1 (1.00) IDO1MAP2K1
SCHEMBL2843094 0.65 CYP2A6 (0.76) TBXAS1CYP2A6TDP1L3MBTL1

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 IDO1 1/4885GLO1 1665/4885CNR1 522/4885

“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.