SCHEMBL17444635

SCHEMBL17444635

COc1ccc2cccc(CCN3CCN(C(=O)c4ccc(Cc5ccc6c(c5)c(C)c(C)n6CCCCl)cc4)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.44
▸ MTNR1A P48039 2/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ DRD3 P35462 6/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL17444677 0.95 MEN1 (0.44) DRD2MTNR1AMTNR1BDRD3MEN1
SCHEMBL17444553 0.93 DRD2 (0.46) DRD2MTNR1AMTNR1BDRD3MEN1
SCHEMBL17444698 0.90 KMT2A (0.49) MEN1KMT2ACNR2
SCHEMBL17444558 0.90 DRD2 (0.48) DRD2DRD3MEN1KMT2ACNR2
SCHEMBL17444551 0.88 MEN1 (0.42) DRD2MTNR1AMTNR1BDRD3MEN1
SCHEMBL17444594 0.86 MEN1 (0.46) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL17444681 0.86 KMT2A (0.50) DRD2MEN1KMT2ACNR2
SCHEMBL17444675 0.85 MEN1 (0.50) MEN1KMT2ACNR2LMNA
SCHEMBL17444613 0.84 MEN1 (0.49) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL17444611 0.84 SIGMAR1 (0.49) DRD2DRD3MEN1KMT2AKDM4E

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 3744/4885MTNR1A 1786/4885MTNR1B 2429/4885

“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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