SCHEMBL17444626

SCHEMBL17444626

COc1ccc2cccc(CCN3CCN(C(=O)c4ccc(Cc5ccc6[nH]c(C)c(C)c6c5)cc4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ DRD2 P14416 4/20 0.45
▸ DRD3 P35462 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NQO2 P16083 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
SCHEMBL17444562 0.95 POLB (0.49) POLBKMT2ANPC1DRD2DRD3
SCHEMBL17444563 0.90 KMT2A (0.48) POLBKMT2ANPC1MAPTPDE3B
SCHEMBL17444682 0.89 POLB (0.54) POLBKMT2ANPC1DRD2DRD3
SCHEMBL17444644 0.87 SIGMAR1 (0.52) POLBKMT2ANPC1DRD2DRD3
SCHEMBL17444659 0.87 POLB (0.60) POLBKMT2ANPC1DRD2DRD3
SCHEMBL17444579 0.85 POLB (0.52) POLBKMT2ANPC1DRD2DRD3
SCHEMBL17444527 0.84 KMT2A (0.49) POLBKMT2ANPC1MAPTRAB9A
SCHEMBL17444656 0.84 KMT2A (0.49) POLBKMT2ANPC1MAPTPDE3B
SCHEMBL17444640 0.84 POLB (0.45) POLBKMT2ANPC1DRD2DRD3
SCHEMBL17444635 0.83 DRD2 (0.44) KMT2ADRD2DRD3MTNR1AMTNR1B

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 POLB 1177/4885KMT2A 1730/4885NPC1 4426/4885

“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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