SCHEMBL4739999

SCHEMBL4739999

O=c1cc(O)nc(Cc2ccccc2)n1Cc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 3/20 0.42
HTT P42858 1/20 0.42
MDM2 Q00987 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
TBXA2R P21731 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
SCHEMBL4741835 0.92 LMNA (0.51) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4738614 0.88 GSK3B (0.46) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4739125 0.77 GSK3B (0.51) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL3521617 0.74 ALDH1A1 (0.51) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL4737864 0.73 CFTR (0.53) LMNAALDH1A1CYP1A2GAACYP2D6
SCHEMBL4737515 0.73 CASR (0.45) LMNAALDH1A1CYP1A2GAACYP2D6
SCHEMBL4737051 0.72 BCL2 (0.55) LMNAALDH1A1CYP1A2GAACYP2D6
SCHEMBL4739942 0.72 ALDH1A1 (0.45) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4988787 0.71 EGLN1 (0.55)
SCHEMBL4739122 0.70 KMT2A (0.47) ALDH1A1GAAMEN1KMT2AMAPT

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
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 LMNA 3270/4885ALDH1A1 513/4885CYP1A2 561/4885

“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.