SCHEMBL19106952

SCHEMBL19106952

COc1ccc2ncc(=S)n(CCN3CCC(NCc4ccc(C)c(C#N)c4)CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.64
SLC2A1 P11166 1/20 0.52
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
KCNQ1 P51787 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL19106951 0.91 KCNH2 (0.74) KCNH2SLC2A1CYP3A4CYP2D6KCNQ1
SCHEMBL19106948 0.88 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
SCHEMBL19106947 0.85 KCNH2 (0.56) KCNH2KCNQ1CACNA1C
SCHEMBL19106961 0.82 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL19106943 0.81 KCNH2 (0.72) KCNH2CYP3A4CYP2D6KCNQ1CACNA1C
SCHEMBL16465440 0.81 SLC2A1 (0.77) KCNH2SLC2A1
SCHEMBL12002186 0.79 KCNH2 (0.68) KCNH2KCNQ1CACNA1C
SCHEMBL2799152 0.79 KCNH2 (0.68) KCNH2KCNQ1CACNA1C
SCHEMBL3663951 0.79 KCNH2 (0.79) KCNH2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2798282 0.78 KCNH2 (0.67) KCNH2KCNQ1CACNA1C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4625/4885SLC2A1 4444/4885CYP3A4 1533/4885

“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.