SCHEMBL18102016

SCHEMBL18102016

CCc1[nH]c(-c2ccccc2)cn2c(=O)c(CC)nc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL2680919 0.90 ADORA3 (0.38) ADORA3ADORA1KDM4EALDH1A1HPGD
SCHEMBL5555331 0.81 PDE4A (0.40) ADORA3ADORA1KDM4EALDH1A1HPGD
SCHEMBL492636 0.81 LTB4R (0.41) ADORA3ADORA1KDM4EALDH1A1HPGD
SCHEMBL20841754 0.80 CTSV (0.37) ADORA3ADORA1KDM4EALDH1A1HPGD
SCHEMBL20543647 0.79 ADORA3 (0.34) ADORA3ADORA1KDM4EALDH1A1HPGD
SCHEMBL20543762 0.78 ADORA3 (0.34) ADORA3ADORA1KDM4EALDH1A1HPGD
SCHEMBL19206667 0.78 LTB4R (0.39) ADORA3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17407642 0.77 ALKBH3 (0.38) KDM4EALDH1A1HSD17B10MAPK1RAB9A
SCHEMBL19206747 0.77 DHFR (0.37) ADORA3ADORA1KDM4EALDH1A1HPGD
SCHEMBL20841748 0.76 ALKBH3 (0.41) ADORA3KDM4EALDH1A1HPGDHSD17B10

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-20160281129-A1 LUMINESCENT SUBSTRATE FOR USE IN ARTIFICIAL BIOLUMINESCENT ENZYME NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-09-29 — — 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-20160281129-A1 LUMINESCENT SUBSTRATE FOR USE IN ARTIFICIAL BIOLUMINESCENT ENZYME GALC, GUSB, GLB1 ADORA3 1043/4885ADORA1 1569/4885KDM4E 1291/4885

“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.

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