SCHEMBL17444558

SCHEMBL17444558

COc1ccc2cc(CCN3CCN(C(=O)c4ccc(Cc5ccc6c(c5)c(C)c(C)n6CCCCl)cc4)CC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DRD3 P35462 7/20 0.43
▸ KCNA5 P22460 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 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
SCHEMBL17444594 0.93 MEN1 (0.46) DRD2MEN1KMT2ADRD3
SCHEMBL17444615 0.92 DRD2 (0.50) DRD2MEN1KMT2ADRD3THRB
SCHEMBL17444681 0.91 KMT2A (0.50) DRD2MEN1KMT2ATHRBCNR2
SCHEMBL17444635 0.90 DRD2 (0.44) DRD2MEN1KMT2ADRD3KCNA5
SCHEMBL17444611 0.88 SIGMAR1 (0.49) DRD2MEN1KMT2ADRD3
SCHEMBL17444613 0.87 MEN1 (0.49) DRD2MEN1KMT2ADRD3
SCHEMBL17444660 0.86 DRD2 (0.55) DRD2MEN1KMT2ADRD3KCNA5
SCHEMBL17444639 0.86 KMT2A (0.58) MEN1KMT2ACNR2
SCHEMBL17444533 0.85 DRD2 (0.58) DRD2MEN1KMT2ADRD3KCNA5
SCHEMBL17444715 0.85 MEN1 (0.44) DRD2MEN1KMT2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 — — US disclosed
EP-3169683-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2017-05-24 — — EP disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 — — WO 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-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 DRD2 3744/4885MEN1 2944/4885KMT2A 1730/4885

“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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