SCHEMBL6749014

SCHEMBL6749014

COC(=O)c1cc([N+](=O)[O-])c(S)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
CHEK1 O14757 1/20 0.46
GAA P10253 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2899450 0.86 POLB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8902175 0.86 CHEK1 (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30837492 0.83 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12108924 0.83 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2243562 0.83 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31430540 0.83 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4854781 0.82 GAA (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1721368 0.82 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL21834530 0.82 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6745891 0.82 GAA (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 PDGFRB 1685/4885FGFR1 1741/4885PDGFRA 1364/4885

“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.