SCHEMBL23901878

SCHEMBL23901878

COc1cc(C2=NCCN2)ccc1CSc1cc(C)cc(SCc2ccc(C3=NCCN3)cc2OC)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.46
PTGIR P43119 1/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL23901876 0.86 NISCH (0.49) NISCHPTGIR
SCHEMBL23901886 0.80 NISCH (0.48) NISCHPTGIRMAOB
SCHEMBL23902260 0.79 NISCH (0.60) NISCHPTGIRMAOB
SCHEMBL23902330 0.78 NISCH (0.50) NISCHPTGIRMAOBKDM4E
SCHEMBL23901794 0.77 NISCH (0.49) NISCHPTGIRMAOBKDM4E
Hydrochloric Acid SCHEMBL23235889 0.77 KDM4E (0.50) NISCHPTGIRMAOBKDM4E
SCHEMBL23901787 0.77 NISCH (0.46) NISCHPTGIRMAOBKDM4E
SCHEMBL23901800 0.74 NISCH (0.52) NISCHMAOBKDM4E
SCHEMBL9575182 0.74 MAOB (0.69) NISCHPTGIRMAOBKDM4E
SCHEMBL23902237 0.72 NISCH (0.51) NISCHPTGIRMAOBKDM4E

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 NISCH 24/4885PTGIR 1351/4885MAOB 2311/4885

“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.