SCHEMBL19106959

SCHEMBL19106959

CC(=O)c1ccc2ncc(=O)n(CCN3CCC(N)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 7/20 0.45

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
SCHEMBL19094399 0.89 KCNH2 (0.47) KCNH2
SCHEMBL11999992 0.84 KCNH2 (0.48) KCNH2
SCHEMBL19118599 0.84 KCNH2 (0.43) HRH2HRH1KCNH2
SCHEMBL707415 0.83 KCNH2 (0.61) KCNH2
SCHEMBL19094022 0.83 KCNH2 (0.49) KCNH2
SCHEMBL706071 0.82 KCNH2 (0.52) KCNH2
SCHEMBL19094093 0.82 KCNH2 (0.44) KCNH2
SCHEMBL19094362 0.82 KCNH2 (0.40) KCNH2
Hydrochloric Acid SCHEMBL2798199 0.82 KCNH2 (0.60) KCNH2
Hydrochloric Acid SCHEMBL3860901 0.81 KCNH2 (0.51) 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 1 patent. 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

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 HRH2 1168/4885HRH1 1357/4885KCNH2 4625/4885

“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.