SCHEMBL17444560

SCHEMBL17444560

Cc1[nH]c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccccc5)CC4)cc3)cc2c1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ PARP1 P09874 1/20 0.54
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.51
▸ TLR8 Q9NR97 1/20 0.51
▸ TLR7 Q9NYK1 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ HRH4 Q9H3N8 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 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
SCHEMBL18906756 0.93 KMT2A (0.56) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL17444559 0.91 POLB (0.59) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL17444527 0.91 KMT2A (0.49) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL18889427 0.90 POLB (0.51) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL17444659 0.90 POLB (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17444644 0.89 SIGMAR1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL18906768 0.88 NPC1 (0.56) KMT2AMEN1PARP1NPC1RAB9A
SCHEMBL17444563 0.87 KMT2A (0.48) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL17444546 0.87 POLB (0.56) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL18889383 0.87 KMT2A (0.55) KMT2AMEN1KCNH2PARP1NPC1

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 5 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
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 — — US disclosed
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 KMT2A 1730/4885MEN1 2944/4885KCNH2 4403/4885

“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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