SCHEMBL23901804

SCHEMBL23901804

COc1cc(C2=NCCCN2)ccc1OCc1cccc(COc2ccc(C3=NCCCN3)cc2OC)c1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 1/20 0.44
NISCH Q9Y2I1 7/20 0.43
MAOB P27338 1/20 0.43
S1PR1 P21453 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 1/20 0.40
PIK3CG P48736 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGB5 P18084 1/20 0.39
MAPT P10636 1/20 0.38

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
Hydrochloric Acid SCHEMBL23880716 0.99 RUVBL1 (0.44) RUVBL1NISCHMAOBS1PR1GAA
SCHEMBL23566307 0.93 NISCH (0.50) NISCHMAOBS1PR1MC4R
Hydrochloric Acid SCHEMBL23880715 0.92 NISCH (0.49) NISCHMAOBS1PR1MC4R
SCHEMBL23902174 0.88 NISCH (0.43) RUVBL1NISCHGAATSHR
Hydrochloric Acid SCHEMBL23235890 0.87 NISCH (0.42) RUVBL1NISCHGAATSHR
SCHEMBL23901795 0.85 PIK3CG (0.44) NISCHMAOBS1PR1TSHRMC4R
SCHEMBL23902198 0.83 MAOB (0.46) NISCHMAOBS1PR1MC4R
SCHEMBL23566305 0.81 NISCH (0.51) NISCHMAOBMC4R
SCHEMBL23901788 0.80 NISCH (0.50) NISCHMAOBGAATSHR
SCHEMBL23901784 0.80 NISCH (0.49) RUVBL1NISCHMAOBS1PR1GAA

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 RUVBL1 3197/4885NISCH 24/4885MAOB 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.