SCHEMBL17131908

SCHEMBL17131908

CCOC(=O)c1ccc(NC(c2cccnc2)c2ccc3cccnc3c2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 5/20 0.75
ALDH1A1 P00352 5/20 0.62
TP53 P04637 3/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
HIF1A Q16665 2/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
P4HB P07237 1/20 0.62
ALOX15 P16050 2/20 0.59
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
GAA P10253 1/20 0.58
HTT P42858 3/20 0.58
GRK6 P43250 1/20 0.58
LMNA P02545 2/20 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
SCHEMBL1700877 0.92 RCE1 (0.74) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL1700904 0.84 RCE1 (0.71) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL14907845 0.82 RCE1 (0.71) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL17131850 0.81 RCE1 (0.67) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL17131892 0.80 RCE1 (0.76) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL17131902 0.80 KDM4E (0.68) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL17131833 0.78 KDM4E (0.74) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL23359134 0.77 RCE1 (1.00) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL31741895 0.77 RCE1 (1.00) RCE1ALDH1A1TP53CYP3A4CYP2C9
SCHEMBL31741894 0.77 RCE1 (1.00) RCE1ALDH1A1TP53CYP3A4CYP2C9

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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C RCE1 1022/4885ALDH1A1 1314/4885TP53 3089/4885

“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.