SCHEMBL6334665

SCHEMBL6334665

COc1cc[n+](C)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
RCE1 Q9Y256 1/20 0.47
CHAT P28329 1/20 0.46
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.42
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL6745095 0.93 RAB9A (0.46) RAB9ARCE1CHATMAPTPKM
SCHEMBL6745098 0.90 RAB9A (0.44) RAB9ARCE1CHATMAPTPKM
SCHEMBL6330866 0.79 RAB9A (0.47) RAB9ARCE1CHATMAPTPKM
SCHEMBL2799728 0.78 IDO1 (0.41) MAPTMAPK1SMN1; SMN2IDO1EP300
SCHEMBL2335412 0.78 RAB9A (0.42) RAB9ARCE1CHATMAPTPKM
Iodide SCHEMBL14740160 0.77 KCNA3 (0.41) RAB9ARCE1CHATMAPTPKM
SCHEMBL11073608 0.76 LMNA (0.39) RAB9ARCE1MAPTPKMMAPK1
SCHEMBL30611103 0.74 RAB9A (0.69) RAB9ARCE1CHATMAPTPKM
SCHEMBL30894444 0.72 MAPT (0.55) RAB9ARCE1CHATMAPTPKM
SCHEMBL1049804 0.72 MAPT (0.55) RAB9ARCE1CHATMAPTPKM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US claimed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US disclosed
EP-1121858-A2 Agent for discouraging feeding activities of animals Horn, Gert, Dipl.-Ing. agr. (DE) 2001-08-08 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-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 RAB9A 4719/4885RCE1 4122/4885CHAT 3207/4885

“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.