SCHEMBL3519951

SCHEMBL3519951

O=C(O)c1c(O)cc(-c2ccccc2)c2nccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
TOP1 P11387 1/20 0.41
DHODH Q02127 3/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
PTPN1 P18031 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
HNF4A P41235 3/20 0.38
KDM4A O75164 3/20 0.38
ACMSD Q8TDX5 2/20 0.38
KDM4B O94953 2/20 0.38
KDM4D Q6B0I6 2/20 0.38
KDM4C Q9H3R0 2/20 0.38

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
SCHEMBL3524375 0.81 EGLN3 (0.57) KDM4CEGLN1HIF1ANKDM6BTET3
SCHEMBL28649452 0.78 BACE1 (0.56) BACE1DHODHPDE10APTPN1ALDH1A1
SCHEMBL3516693 0.74 HPGD (0.49) KDM4EALDH1A1LMNAEGLN1HPGD
SCHEMBL11317724 0.74 BACE1 (0.56) BACE1DHODHPDE10APTPN1ALDH1A1
SCHEMBL22686702 0.74 BACE1 (0.56) BACE1DHODHPDE10ACYP3A4CYP2C8
SCHEMBL3516637 0.73 KDM4E (0.41) DHODHCYP3A4KDM4EPTPN1ALDH1A1
SCHEMBL28256322 0.70 BACE1 (0.56) BACE1DHODHPDE10APTPN1ALDH1A1
SCHEMBL22068538 0.70 ALOX5 (0.53) BACE1CYP3A4KDM4EPTPN1ALDH1A1
SCHEMBL13078942 0.70 TOP1 (0.47) BACE1TOP1CYP3A4KDM4EALDH1A1
SCHEMBL6504053 0.69 ACMSD (0.59) BACE1DHODHPTPN1ALOX5HNF4A

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 BACE1 3609/4885TOP1 1959/4885DHODH 20/4885

“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.