SCHEMBL4740112

SCHEMBL4740112

O=c1cc(O)nc(C2CCCCC2)n1-c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 6/20 0.53
HCAR1 Q9BXC0 1/20 0.48
MDM2 Q00987 2/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
WEE1 P30291 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
ATM Q13315 1/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 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
SCHEMBL4739979 0.90 MDM2 (0.45) APLNRMDM2MEN1KMT2AALDH1A1
SCHEMBL4740367 0.86 APLNR (0.39) APLNRMDM2ALDH1A1DRD1DRD5
SCHEMBL4786165 0.86 APLNR (0.52) APLNRMDM2MEN1KMT2AALDH1A1
SCHEMBL4741836 0.86 KMT2A (0.44) APLNRHCAR1MDM2MEN1KMT2A
SCHEMBL4740500 0.84 APLNR (0.38) APLNRHCAR1MDM2MEN1KMT2A
SCHEMBL4737525 0.82 KMT2A (0.54) APLNRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4739113 0.81 MDM2 (0.47) APLNRHCAR1MDM2MEN1KMT2A
SCHEMBL4739975 0.79 KMT2A (0.38) APLNRMDM2MEN1KMT2AALDH1A1
SCHEMBL17317042 0.78 APLNR (0.51) APLNRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4739117 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EUSP2

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 APLNR 2034/4885HCAR1 1064/4885MDM2 2479/4885

“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.