SCHEMBL18919115

SCHEMBL18919115

COc1cccc(CCN2CCN(C(=O)/C=C/c3c(C)[nH]c4ccc(OC)cc34)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.54
▸ PIKFYVE Q9Y2I7 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HTR1A P08908 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GPR183 P32249 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42

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
SCHEMBL18919117 1.00 SIGMAR1 (0.54) SIGMAR1PIKFYVEACHEMAPTHRH3
SCHEMBL18919206 0.94 PIKFYVE (0.49) SIGMAR1PIKFYVEACHEMAPTKMT2A
SCHEMBL18919203 0.94 PIKFYVE (0.49) SIGMAR1PIKFYVEACHEMAPTKMT2A
SCHEMBL18919156 0.93 ACHE (0.47) SIGMAR1PIKFYVEACHEMAPTDRD2
SCHEMBL18919158 0.93 ACHE (0.47) SIGMAR1PIKFYVEACHEMAPTDRD2
SCHEMBL18919059 0.93 SIGMAR1 (0.54) SIGMAR1ACHEMAPTHRH3HTR1A
SCHEMBL18919060 0.93 SIGMAR1 (0.54) SIGMAR1ACHEMAPTHRH3HTR1A
SCHEMBL18919163 0.92 PIKFYVE (0.51) SIGMAR1PIKFYVEACHEMAPTDRD2
SCHEMBL18919161 0.92 PIKFYVE (0.51) SIGMAR1PIKFYVEACHEMAPTDRD2
SCHEMBL16739358 0.89 PIKFYVE (0.48) PIKFYVEACHEMAPTHTR1AKMT2A

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 SIGMAR1 2217/4885PIKFYVE 1833/4885ACHE 1026/4885

“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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