SCHEMBL19106961

SCHEMBL19106961

Cc1ccc(CNC2CCN(CCn3c(=S)cnc4ccc(Cl)nc43)CC2)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.54
SLC2A1 P11166 1/20 0.41

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
SCHEMBL19106950 0.91 KCNH2 (0.66) KCNH2SLC2A1
SCHEMBL19106952 0.82 KCNH2 (0.64) KCNH2SLC2A1
SCHEMBL19106935 0.78 KCNH2 (0.54) KCNH2
SCHEMBL19106939 0.76 KCNH2 (0.52) KCNH2
SCHEMBL19106943 0.75 KCNH2 (0.72) KCNH2
SCHEMBL19106951 0.75 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL16465440 0.70 SLC2A1 (0.77) KCNH2SLC2A1
SCHEMBL19106948 0.69 KCNH2 (0.58) KCNH2
SCHEMBL19106929 0.67 KCNH2 (0.61) KCNH2
SCHEMBL19094909 0.67 KCNH2 (0.69) KCNH2

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 4444/4885

“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.