SCHEMBL23901896

SCHEMBL23901896

COc1cc(C2=NCCN2C)ccc1OCc1cccc(COc2ccc(C3=NCCN3C)cc2OC)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.40
PTAFR P25105 1/20 0.40
MAPT P10636 2/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALKBH1 Q13686 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
GPX4 P36969 1/20 0.35
HTR1A P08908 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23901888 0.89 PTGS2 (0.40) PTGS2SMN1; SMN2GAAMRGPRX4HTR1A
SCHEMBL23901797 0.87 TOP2A (0.42) PIK3CGPTAFRMAPTPTGS2SMN1; SMN2
SCHEMBL23902205 0.87 PIK3CG (0.39) PIK3CGPTAFRMAPTPTGS2SMN1; SMN2
SCHEMBL23901790 0.81 NPC1 (0.42) SMN1; SMN2ALKBH1
SCHEMBL23902202 0.80 NPC1 (0.41) PTAFRMAPTCA1CA2CA4
SCHEMBL23566307 0.76 NISCH (0.50)
Hydrochloric Acid SCHEMBL23880715 0.76 NISCH (0.49)
SCHEMBL23902324 0.76 TOP2A (0.43) PTGS2MRGPRX4HTR1A
SCHEMBL23901890 0.76 PTGS2 (0.39) PTGS2MRGPRX4HTR1AMEN1KMT2A
SCHEMBL23901804 0.75 RUVBL1 (0.44) PIK3CGMAPTGAA

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 PIK3CG 3575/4885PTAFR 1165/4885MAPT 4279/4885

“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.