SCHEMBL23901876

SCHEMBL23901876

Cc1cc(SCc2ccc(C3=NCCN3)cc2C)cc(SCc2ccc(C3=NCCN3)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 17/20 0.49
PTGIR P43119 1/20 0.40
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL23901878 0.86 NISCH (0.46) NISCHPTGIR
SCHEMBL23902260 0.83 NISCH (0.60) NISCHPTGIRHTR1DADRA1A
SCHEMBL23902257 0.80 NISCH (0.51) NISCHHTR1DADRA1A
Hydrochloric Acid SCHEMBL23235794 0.79 NISCH (0.50) NISCHHTR1DADRA1A
SCHEMBL21672911 0.77 NISCH (0.57) NISCHHTR1DADRA1A
SCHEMBL23565994 0.75 NISCH (0.56) NISCHPTGIRHTR1DADRA1A
SCHEMBL23901816 0.75 NISCH (0.49) NISCHHTR1DADRA1A
SCHEMBL23902340 0.75 NISCH (0.49) NISCH
SCHEMBL23902189 0.75 NISCH (0.49) NISCHHTR1DADRA1A
SCHEMBL23901950 0.72 NISCH (0.54) NISCH

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 1351/4885HTR1D 3853/4885

“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.