SCHEMBL586774

SCHEMBL586774

NS(=O)(=O)CCC(c1cccnc1)c1cc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.41
▸ IDO1 P14902 3/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ CA2 P00918 1/20 0.39
▸ TBXAS1 P24557 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ GOPC Q9HD26 1/20 0.36
▸ PADI4 Q9UM07 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10325405 0.89 CYP19A1 (0.44) CYP19A1IDO1MAP2K1CNR1CA2
SCHEMBL8533233 0.80 GCK (0.47) —
SCHEMBL10325726 0.77 CYP19A1 (0.41) CYP19A1IDO1MAP2K1CNR1CA2
SCHEMBL586564 0.76 CYP19A1 (0.40) CYP19A1IDO1MAP2K1CNR1CA2
SCHEMBL27985096 0.70 ALDH1A1 (0.40) TBXAS1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL27316010 0.70 CFTR (0.40) CYP19A1CA2TBXAS1CFTRSLC6A2
SCHEMBL7396037 0.67 HRH1 (0.52) CA2
SCHEMBL2073903 0.65 HRH1 (0.57) TSHRSLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL2071266 0.65 HTR2A (0.57) SLC6A2SLC6A4SLC6A3ALOX5KCNH2
SCHEMBL27663367 0.65 LOXL2 (0.44) IDO1CA2ALOX5KDM4EHPGD

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 CYP19A1 3368/4885IDO1 1/4885MAP2K1 3939/4885

“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.

Send feedback