SCHEMBL4742638

SCHEMBL4742638

CC(C)(C)c1ccc(-n2c(C3CCCCC3)nc(O)cc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
APLNR P35414 3/20 0.39
NR1H4 Q96RI1 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DRD1 P21728 5/20 0.36
DRD5 P21918 5/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HSD11B1 P28845 1/20 0.35
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 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
SCHEMBL4741076 0.84 KMT2A (0.42) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL4739124 0.84 HPGD (0.43) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL4737525 0.83 KMT2A (0.54) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL4740407 0.80 NPC1 (0.50) KMT2AMEN1KDM4EPOLBSMN1; SMN2
SCHEMBL4741265 0.80 NPC1 (0.50) KMT2AMEN1KDM4EPOLBSMN1; SMN2
SCHEMBL4784791 0.80 APLNR (0.42) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL17317042 0.79 APLNR (0.51) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL4739114 0.79 NPC1 (0.51) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL4784797 0.78 APLNR (0.48) ALDH1A1KMT2AMEN1KDM4EUSP2
SCHEMBL4739975 0.78 KMT2A (0.38) ALDH1A1KMT2AMEN1KDM4EUSP2

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 ALDH1A1 513/4885KMT2A 734/4885MEN1 2935/4885

“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.