SCHEMBL6372403

SCHEMBL6372403

CCC(N)c1cccc2c1C(=O)c1c(cccc1C(N)CC)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TTR P02766 1/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KEAP1 Q14145 3/20 0.40
▸ EGFR P00533 2/20 0.40
▸ PABPC1 P11940 1/20 0.40

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
SCHEMBL6367249 0.79 ADORA2A (0.47) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL23142622 0.78 KDM4E (0.42) ALDH1A1MAPTTDP1HPGDHSD17B10
SCHEMBL6289054 0.77 MAPK1 (0.57) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL526407 0.75 TSHR (0.48) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL6374060 0.75 ADORA2A (0.43) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL11294914 0.73 ADORA2A (0.59) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL3678678 0.71 TSHR (0.44) ADORA2AALDH1A1LMNATSHRMAOA
SCHEMBL27587500 0.70 ADORA2A (0.55) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL11134047 0.70 ADORA2A (0.46) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL28307031 0.70 ALDH1A1 (0.40) ADORA2AALDH1A1MAPK1SMN1; SMN2MAPT

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-20050009924-A1 Synthesis and pharmaceuticals of novel bis-substituted anthraquinone derivatives HUANG HSU-SHAN (TW) 2005-01-13 — — 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-20050009924-A1 Synthesis and pharmaceuticals of novel bis-substituted anthraquinone derivatives NFE2L2, NR2F2, TFAM ADORA2A 2213/4885ALDH1A1 692/4885MAPK1 4421/4885

“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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