SCHEMBL18906756

SCHEMBL18906756

Cc1[nH]c2ccc(Cc3cccc(C(=O)N4CCN(CCc5ccccc5)CC4)c3)cc2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ PARP1 P09874 2/20 0.54
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ TLR8 Q9NR97 1/20 0.50
▸ TLR7 Q9NYK1 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ HRH4 Q9H3N8 1/20 0.49
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 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
SCHEMBL17444546 0.94 POLB (0.56) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL17444560 0.93 KMT2A (0.57) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL17444630 0.92 KMT2A (0.50) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL17444650 0.91 POLB (0.51) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL18906762 0.90 PARP1 (0.54) KMT2AMEN1PARP1NPC1SMN1; SMN2
SCHEMBL17444656 0.89 KMT2A (0.49) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL18889386 0.88 KMT2A (0.47) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL17444579 0.87 POLB (0.52) KMT2AMEN1PARP1NPC1SMN1; SMN2
SCHEMBL18889397 0.86 KMT2A (0.54) KMT2AMEN1KCNH2PARP1NPC1
SCHEMBL18913240 0.86 KMT2A (0.48) KMT2AMEN1PARP1NPC1SMN1; SMN2

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 2 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

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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