SCHEMBL17444613

SCHEMBL17444613

COc1ccc(CCN2CCN(C(=O)c3cccc(Cc4ccc5c(c4)c(C)c(C)n5CCCCl)c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ DRD2 P14416 4/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMPD1 P17405 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 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
SCHEMBL17444611 0.94 SIGMAR1 (0.49) MEN1KMT2ADRD2DRD3POLB
SCHEMBL17444594 0.94 MEN1 (0.46) MEN1KMT2ADRD2DRD3POLB
SCHEMBL17444539 0.93 MEN1 (0.57) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL17444671 0.92 DRD2 (0.51) MEN1KMT2ADRD2DRD3POLB
SCHEMBL17444578 0.91 DRD2 (0.51) MEN1KMT2ADRD2DRD3POLB
SCHEMBL17444605 0.90 MEN1 (0.51) MEN1KMT2ALMNAKCNH2
SCHEMBL17444677 0.90 MEN1 (0.44) MEN1KMT2ADRD2DRD3POLB
SCHEMBL17444680 0.89 MEN1 (0.51) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL17444534 0.88 MEN1 (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL17444535 0.88 DRD2 (0.51) MEN1KMT2ADRD2DRD3POLB

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 MEN1 2944/4885KMT2A 1730/4885DRD2 3744/4885

“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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