SCHEMBL6101003

SCHEMBL6101003

COc1ccc(CN2C(=O)c3c(c(O)c4nc(C)ccc4c3O)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.46
KDM4E B2RXH2 4/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CASP3 P42574 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
P2RX4 Q99571 1/20 0.39

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
SCHEMBL6102273 0.86 MAPT (0.39) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL6099928 0.86 THRB (0.42) KDM4ECASP3ALDH1A1HPGDMAPT
SCHEMBL6100789 0.80 CMA1 (0.53) CMA1KDM4EGSK3AGSK3BCASP3
SCHEMBL6102021 0.77 TSHR (0.41) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL6102010 0.77 UBE2N (0.42) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL5766269 0.74 ALDH1A1 (0.42) KDM4EGSK3AGSK3BCASP3ALDH1A1
SCHEMBL4689945 0.72 CASP3 (0.40) CASP3HPGDRAB9AHTTMAPT
SCHEMBL14260614 0.72 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL2288506 0.71 CASP3 (0.39) CASP3ALDH1A1HPGD
SCHEMBL2643216 0.70 CMA1 (0.70) CMA1KDM4EGSK3AGSK3BCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 CMA1 2557/4885KDM4E 4133/4885GSK3A 2444/4885

“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.