SCHEMBL18919206

SCHEMBL18919206

COc1ccc2[nH]c(C)c(C=CC(=O)N3CCN(CCc4ccccc4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ GPR183 P32249 1/20 0.47
▸ SIGMAR1 Q99720 5/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TLR9 Q9NR96 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ACHE P22303 1/20 0.43

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
SCHEMBL18919203 1.00 PIKFYVE (0.49) PIKFYVEALDH1A1TDP1MAPTGPR183
SCHEMBL18919163 0.95 PIKFYVE (0.51) PIKFYVEALDH1A1TDP1MAPTSIGMAR1
SCHEMBL18919161 0.95 PIKFYVE (0.51) PIKFYVEALDH1A1TDP1MAPTSIGMAR1
SCHEMBL18919115 0.94 SIGMAR1 (0.54) PIKFYVEALDH1A1TDP1MAPTGPR183
SCHEMBL18919117 0.94 SIGMAR1 (0.54) PIKFYVEALDH1A1TDP1MAPTGPR183
SCHEMBL16739358 0.91 PIKFYVE (0.48) PIKFYVEALDH1A1TDP1MAPTGPR183
SCHEMBL18919111 0.91 PIKFYVE (0.48) PIKFYVEALDH1A1TDP1MAPTGPR183
SCHEMBL18919156 0.91 ACHE (0.47) PIKFYVEALDH1A1TDP1MAPTGPR183
SCHEMBL18919158 0.91 ACHE (0.47) PIKFYVEALDH1A1TDP1MAPTGPR183
SCHEMBL18919232 0.89 DRD2 (0.49) ALDH1A1MAPTGPR183SIGMAR1KMT2A

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-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-08 — — 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-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 PIKFYVE 1833/4885ALDH1A1 1080/4885TDP1 133/4885

“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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