SCHEMBL4488844

SCHEMBL4488844

O=c1ccn(CCCO)c(=O)n1CCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KDR P35968 1/20 0.36
TSHR P16473 2/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TRPC5 Q9UL62 1/20 0.35
RGS12 O14924 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL913351 0.80 TDP1 (0.36)
SCHEMBL9125228 0.78 RXFP1 (0.44) MAPTTSHRPDE4APDE4BPDE4C
SCHEMBL8017747 0.77 PTGER1 (0.34) MEN1KMT2A
SCHEMBL8070808 0.75 KDM4E (0.39) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7605770 0.75 KDM4E (0.39) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL6112586 0.75 COMT (0.41) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL5310921 0.73 PRKCA (0.38) MAPTMEN1KMT2AADORA2B
SCHEMBL7274815 0.73 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5479277 0.72 CYP2D6 (0.35) MEN1KMT2A
SCHEMBL24205292 0.70 HSP90AA1 (0.42) KDM4EMAPTMEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 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-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP KDM4E 1939/4885MAPT 1146/4885MEN1 1024/4885

“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.