SCHEMBL23901806

SCHEMBL23901806

Cc1cc(COc2ccc(C3=NCCN3C)cc2C)cc(COc2ccc(C3=NCCN3C)cc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.40
FFAR1 O14842 2/20 0.40
MRGPRX4 Q96LA9 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PRMT5 O14744 1/20 0.33
PPARD Q03181 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
F10 P00742 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL23902202 0.88 NPC1 (0.41) MAPTALDH1A1HRH3
SCHEMBL23902321 0.86 TOP2A (0.45) FFAR4FFAR1MRGPRX4ESR1ESR2
SCHEMBL23902178 0.85 FFAR4 (0.38) FFAR4FFAR1MRGPRX4SMN1; SMN2ESR1
SCHEMBL23902259 0.84 PARP10 (0.41) F10HRH3
SCHEMBL23902315 0.78 ALDH1A1 (0.36) ALDH1A1RECQLF10HRH3
Hydrochloric Acid SCHEMBL23235772 0.77 ALDH1A1 (0.35) ALDH1A1RECQLF10HRH3
SCHEMBL23901853 0.75 PTAFR (0.41) ALDH1A1RECQLF10HRH3
SCHEMBL23902338 0.74 TOP2A (0.43) SMN1; SMN2MAPTALDH1A1
SCHEMBL23901934 0.74 NISCH (0.49) FFAR4FFAR1
Hydrochloric Acid SCHEMBL23880741 0.74 PTAFR (0.40) ALDH1A1RECQLF10HRH3

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 FFAR4 2035/4885FFAR1 2920/4885MRGPRX4 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.