SCHEMBL3033744

SCHEMBL3033744

COc1ccc2[nH]c(C(=O)O)c(NC(C)=O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
ALDH1A1 P00352 7/20 0.72
HSD17B10 Q99714 6/20 0.72
HPGD P15428 5/20 0.72
USP2 O75604 1/20 0.71
MAPK1 P28482 1/20 0.71
MEN1 O00255 10/20 0.67
KMT2A Q03164 10/20 0.67
GAA P10253 10/20 0.66
CDK5 Q00535 2/20 0.66
CDK5R1 Q15078 2/20 0.66
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66
GFER P55789 1/20 0.66
MAPT P10636 2/20 0.62
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
POLB P06746 2/20 0.61
MDM2 Q00987 1/20 0.61
LMNA P02545 1/20 0.58

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
SCHEMBL7509649 0.86 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL7507701 0.84 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL7137050 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL2396662 0.80 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL6436600 0.79 GAA (0.60) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL38662825 0.79 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL30779659 0.79 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL14247408 0.78 RAB9A (0.72) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL4344048 0.77 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL2730951 0.77 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDMEN1

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885ALDH1A1 348/4885HSD17B10 761/4885

“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.