SCHEMBL30414741

SCHEMBL30414741

c1cc(-c2nc(-c3cccc4ccccc34)co2)nc(-c2nc(-c3cccc4ccccc34)co2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.49
ENPP3 O14638 3/20 0.49
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1199684 1.00 ENPP1 (0.49) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL30414742 1.00 ENPP1 (0.49) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL5610455 0.85 ENPP1 (0.55) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL23212810 0.81 MAPT (0.55) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL30197720 0.81 ENPP1 (0.44) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL14198210 0.79 ALDH1A1 (0.51) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL4431583 0.78 ENPP1 (0.60) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL4194789 0.78 KDM4E (0.61) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL30197645 0.77 ENPP1 (0.44) ENPP1ENPP3KDM4EALDH1A1HPGD
SCHEMBL30197782 0.77 ENPP1 (0.47) ENPP1ENPP3KDM4EALDH1A1HPGD

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-20230257408-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-17 US disclosed
EP-4186882-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-31 EP 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-20230257408-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SIRT1, SIRT3, HCCS ENPP1 3981/4885ENPP3 3807/4885KDM4E 1858/4885

“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.