SCHEMBL23901888

SCHEMBL23901888

CN1CCN=C1c1ccc(OCc2cccc(COc3ccc(C4=NCCN4C)cc3F)c2F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
F10 P00742 6/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHFR P00374 1/20 0.35
DCPS Q96C86 1/20 0.35
F2 P00734 2/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NAAA Q02083 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23901896 0.89 PIK3CG (0.40) PTGS2MRGPRX4HTR1AGAASMN1; SMN2
SCHEMBL23901890 0.86 PTGS2 (0.39) PTGS2MRGPRX4S1PR1S1PR3S1PR5
SCHEMBL23902324 0.86 TOP2A (0.43) PTGS2F10MRGPRX4S1PR1S1PR3
SCHEMBL23901790 0.83 NPC1 (0.42) S1PR3S1PR5NPC1RAB9ASMN1; SMN2
SCHEMBL23902205 0.76 PIK3CG (0.39) PTGS2MRGPRX4KDM4ENPC1GAA
SCHEMBL23901797 0.76 TOP2A (0.42) PTGS2MRGPRX4HSD17B10KDM4ENPC1
SCHEMBL23566305 0.74 NISCH (0.51)
Hydrochloric Acid SCHEMBL23235821 0.73 NISCH (0.50)
SCHEMBL23902174 0.72 NISCH (0.43) GAA
Hydrochloric Acid SCHEMBL23235890 0.71 NISCH (0.42) GAA

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 PTGS2 1677/4885F10 2833/4885MRGPRX4 546/4885

“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.