SCHEMBL19094693

SCHEMBL19094693

COc1ccc2ncc(=S)n(CCN3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
KCNQ1 P51787 1/20 0.45
CACNA1C Q13936 1/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PRKDC P78527 1/20 0.44
KCNA3 P22001 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL10285563 0.91 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
SCHEMBL3856834 0.87 KCNH2 (0.64) KCNH2
SCHEMBL19094355 0.82 KCNH2 (0.49) KCNH2KCNQ1CACNA1CKCNA3ATM
SCHEMBL19106955 0.81 KCNH2 (0.51) KCNH2KCNQ1CACNA1CKCNA3ATM
SCHEMBL12002142 0.81 KCNH2 (0.49) KCNH2KCNQ1CACNA1CKCNA3ATM
SCHEMBL19094960 0.81 KCNH2 (0.49) KCNH2KCNQ1CACNA1CKCNA3ATM
SCHEMBL12090600 0.80 KCNH2 (0.54) KCNH2KCNA3ATM
SCHEMBL13234692 0.80 KCNH2 (0.47) KCNH2KCNQ1CACNA1CKCNA3ATM
SCHEMBL20511757 0.80 KCNH2 (0.52) KCNH2KCNQ1CACNA1CKCNA3ATM
SCHEMBL19106960 0.80 KCNH2 (0.50) KCNH2KCNQ1CACNA1CKCNA3ATM

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
WO-2018172925-A1 INHIBITORS OF DNA GYRASE FOR TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2018-09-27 WO disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US 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-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 KCNH2 4625/4885KCNQ1 4251/4885CACNA1C 4852/4885

“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.