SCHEMBL17444644

SCHEMBL17444644

COc1cccc(CCN2CCN(C(=O)c3ccc(Cc4ccc5[nH]c(C)c(C)c5c4)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ DRD2 P14416 2/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.46
▸ TLR8 Q9NR97 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL17444682 0.92 POLB (0.54) POLBKMT2AMEN1NPC1MAPT
SCHEMBL17444659 0.91 POLB (0.60) POLBKMT2AMEN1NPC1DRD2
SCHEMBL18889417 0.90 POLB (0.54) SIGMAR1POLBKMT2AMEN1NPC1
SCHEMBL17444579 0.89 POLB (0.52) SIGMAR1POLBKMT2AMEN1NPC1
SCHEMBL17444560 0.89 KMT2A (0.57) SIGMAR1POLBKMT2AMEN1NPC1
SCHEMBL18889427 0.88 POLB (0.51) POLBKMT2AMEN1NPC1MAPT
SCHEMBL17444626 0.87 POLB (0.50) POLBKMT2AMEN1NPC1MAPT
SCHEMBL17444527 0.87 KMT2A (0.49) POLBKMT2AMEN1NPC1MAPT
SCHEMBL17444646 0.86 POLB (0.54) SIGMAR1POLBKMT2AMEN1NPC1
SCHEMBL17444559 0.84 POLB (0.59) POLBKMT2AMEN1NPC1MAPT

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 SIGMAR1 2620/4885POLB 1177/4885KMT2A 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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