SCHEMBL18919216

SCHEMBL18919216

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.62
▸ SIGMAR1 Q99720 4/20 0.59
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.51
▸ DRD2 P14416 3/20 0.50
▸ DRD3 P35462 3/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 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
SCHEMBL18919079 0.93 MAPT (0.63) MAPTSIGMAR1KMT2AALDH1A1DRD2
SCHEMBL18919126 0.93 MAPT (0.59) MAPTSIGMAR1KMT2AALDH1A1DRD2
SCHEMBL18919154 0.91 MAPT (0.60) MAPTSIGMAR1KMT2AALDH1A1DRD2
SCHEMBL18919147 0.88 MAPT (0.56) MAPTKMT2AALDH1A1DRD2DRD3
SCHEMBL18919127 0.86 RXFP1 (0.56) MAPTKMT2AALDH1A1DRD2DRD3
SCHEMBL17444646 0.85 POLB (0.54) MAPTSIGMAR1KMT2AALDH1A1DRD2
SCHEMBL18889417 0.85 POLB (0.54) MAPTSIGMAR1KMT2AALDH1A1DRD2
SCHEMBL18919115 0.83 SIGMAR1 (0.54) MAPTSIGMAR1KMT2AALDH1A1HRH3
SCHEMBL18919117 0.83 SIGMAR1 (0.54) MAPTSIGMAR1KMT2AALDH1A1HRH3
SCHEMBL17444644 0.81 SIGMAR1 (0.52) MAPTSIGMAR1KMT2AALDH1A1HRH3

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 MAPT 2167/4885SIGMAR1 2217/4885KMT2A 2215/4885

“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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