SCHEMBL23901890

SCHEMBL23901890

CC(C)N1CCN=C1c1ccc(OCc2cccc(COc3ccc(C4=NCCN4C(C)C)cc3F)c2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MRGPRX4 Q96LA9 4/20 0.35
HSD17B10 Q99714 1/20 0.34
DHFR P00374 1/20 0.34
DCPS Q96C86 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
GRM2 Q14416 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
NMT1 P30419 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL23902205 0.89 PIK3CG (0.39) PTGS2NPC1RAB9AMRGPRX4
SCHEMBL23901888 0.86 PTGS2 (0.40) PTGS2NPC1RAB9AMRGPRX4HSD17B10
SCHEMBL23902324 0.84 TOP2A (0.43) PTGS2MRGPRX4HSD17B10DHFRDCPS
SCHEMBL23902197 0.84 NPC1 (0.46) NPC1RAB9AS1PR3S1PR5NMT1
SCHEMBL23901896 0.76 PIK3CG (0.40) PTGS2MRGPRX4HTR1AMEN1KMT2A
SCHEMBL23901797 0.74 TOP2A (0.42) PTGS2NPC1RAB9AMRGPRX4HSD17B10
SCHEMBL23566305 0.72 NISCH (0.51)
SCHEMBL23902178 0.72 FFAR4 (0.38) MRGPRX4CD274AAK1
Hydrochloric Acid SCHEMBL23235821 0.71 NISCH (0.50)
SCHEMBL23902174 0.70 NISCH (0.43)

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 1677/4885NPC1 1939/4885RAB9A 1026/4885

“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.