SCHEMBL20045093

SCHEMBL20045093

COC(=O)Cc1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
FGFR3 P22607 1/20 0.53
KDR P35968 1/20 0.53
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 6/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
GAA P10253 3/20 0.48
GFER P55789 1/20 0.48
MEN1 O00255 5/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 4/20 0.46

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
SCHEMBL5465423 0.88 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL286994 0.85 ALDH1A1 (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31170840 0.85 ALDH1A1 (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16412469 0.85 PDGFRB (0.57) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13079792 0.84 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL731999 0.84 MEN1 (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29875166 0.84 ALDH1A1 (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7235742 0.84 ALDH1A1 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7425083 0.84 ALDH1A1 (0.57) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL5735718 0.84 ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2018-04-12 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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT PDGFRB 3751/4885FGFR1 4841/4885PDGFRA 3409/4885

“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.