SCHEMBL4033116

SCHEMBL4033116

O=C(O)c1cc2c(c3c1NCCC3)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
PARP1 P09874 2/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MPI P34949 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRKD1 Q15139 1/20 0.35
SLC16A3 O15427 1/20 0.35
NNMT P40261 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
SCHEMBL9179945 0.75 KDM4E (0.55) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL9178074 0.75 KDM4E (0.44) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL5328612 0.74 PARP1 (0.39) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3945745 0.74 KDM4E (0.43) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3950860 0.74 KDM4E (0.43) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3949652 0.74 KDM4E (0.43) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL4035775 0.74 KDM4E (0.43) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL9175444 0.74 KDM4E (0.43) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL9175188 0.72 NNMT (0.51) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL9174721 0.72 XDH (0.45) KDM4EMAPTALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP KDM4E 4055/4885MAPT 144/4885ALDH1A1 1635/4885

“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.