SCHEMBL24201493

SCHEMBL24201493

COC(=O)CCC(=O)Cc1cc(Br)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PGK1 P00558 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 3/20 0.35
CYP3A4 P08684 2/20 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
SCHEMBL4300344 0.79 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12768192 0.77 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL24201862 0.75 ALDH1A1 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28909880 0.74 LMNA (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9101688 0.74 MEN1 (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL31727099 0.73 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12359628 0.73 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26684743 0.73 PDGFRB (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17466058 0.72 MAPT (0.42) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL29471193 0.72 LMNA (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3

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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 PDGFRB 76/4885FGFR1 301/4885PDGFRA 118/4885

“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.