SCHEMBL6762081

SCHEMBL6762081

CCNc1cccc(Cn2ncc3c(N4CCNCC4)ncnc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ GPR55 Q9Y2T6 2/20 0.54
▸ GAA P10253 1/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ HTT P42858 6/20 0.50
▸ LMNA P02545 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ GPR35 Q9HC97 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ MAPT P10636 2/20 0.47

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
Hydrochloric Acid SCHEMBL6761545 0.84 PKM (0.61) PKMALDH1A1GPR55GAAMAPK1
SCHEMBL14380419 0.83 PKM (0.56) PKMALDH1A1GPR55GAAMAPK1
Hydrochloric Acid SCHEMBL5065529 0.82 PKM (0.55) PKMALDH1A1GPR55GAAMAPK1
SCHEMBL6667999 0.77 PKM (0.63) PKMALDH1A1GPR55GAAMAPK1
Hydrochloric Acid SCHEMBL6759662 0.76 PKM (0.51) PKMALDH1A1GPR55GAAMAPK1
SCHEMBL6667782 0.74 PKM (0.49) PKMALDH1A1GPR55GAAMAPK1
Hydrochloric Acid SCHEMBL6757352 0.73 PKM (0.48) PKMALDH1A1GPR55GAAMAPK1
SCHEMBL16313533 0.73 GPR55 (0.58) PKMALDH1A1GPR55GAAMAPK1
SCHEMBL6668632 0.73 HDAC4 (0.40) ALDH1A1LMNAMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL5070536 0.71 PKM (0.48) PKMALDH1A1GPR55GAAMAPK1

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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 — — 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 PKM 204/4885ALDH1A1 1229/4885GPR55 1996/4885

“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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