SCHEMBL3519670

SCHEMBL3519670

O=C(O)c1c(O)c(Br)cc2ncc(-c3ccc(F)c(F)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.44
EPRS1 P07814 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
TOP1 P11387 1/20 0.36
GRIN2B Q13224 4/20 0.36
DHODH Q02127 3/20 0.36
MAPK1 P28482 1/20 0.35
AURKA O14965 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3523288 0.91 KMO (0.44) KMOEPRS1ESR1ESR2TOP1
SCHEMBL3524091 0.88 DHODH (0.40) EPRS1DHODHMAPK1
SCHEMBL3521474 0.85 EGLN3 (0.46) KMO
SCHEMBL3520731 0.84 SMN1; SMN2 (0.41) DHODHALDH1A1GAA
SCHEMBL3537332 0.81 KMO (0.45) KMOGRIN2BDHODHALDH1A1
SCHEMBL3519877 0.79 CASP1 (0.36) GRIN2BGAA
SCHEMBL3522596 0.78 KMO (0.45) KMOEPRS1ESR1ESR2TOP1
SCHEMBL3522253 0.77 PDGFRB (0.39) KMOGRIN2BCYP2C9
SCHEMBL3532730 0.77 DHODH (0.47) DHODH
SCHEMBL3519825 0.74 EGLN1 (0.47)

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-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 KMO 350/4885EPRS1 104/4885ESR1 3856/4885

“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.