SCHEMBL14333390

SCHEMBL14333390

CCOC(=O)Cc1cc(OC(C)C)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
PDK1 Q15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
GPR174 Q9BXC1 2/20 0.38
TNF P01375 1/20 0.37

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 0.80 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14334267 0.80 MAPT (0.41) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL5150299 0.78 MAPT (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28668958 0.78 RAB9A (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14333835 0.77 POLB (0.38) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL14334047 0.76 PDK1 (0.42) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14333286 0.76 PDGFRB (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4280091 0.76 MAPT (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL5092062 0.76 PDK1 (0.52) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7942213 0.75 PPOX (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
WO-2012178015-A2 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2012-12-27 WO 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-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 PDGFRB 1249/4885FGFR1 1705/4885PDGFRA 1653/4885

“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.