SCHEMBL16741920

SCHEMBL16741920

COc1cccc(NC(=O)c2cccc(Cc3ccc4[nH]c(C)c(C)c4c3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MAPT P10636 3/20 0.54
▸ NPC1 O15118 5/20 0.53
▸ NLRP3 Q96P20 1/20 0.52
▸ TP53 P04637 3/20 0.52
▸ KCNK3 O14649 2/20 0.51
▸ KCNK9 Q9NPC2 2/20 0.51
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ TSHR P16473 1/20 0.49

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
SCHEMBL18941236 0.93 KMT2A (0.61) RAB9AKMT2AMEN1RXFP1MAPT
SCHEMBL18941314 0.88 MAPT (0.64) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL18941086 0.86 KMT2A (0.59) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL18941290 0.85 MAPT (0.72) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL18941145 0.85 RAB9A (0.66) RAB9AKMT2AMEN1RXFP1MAPT
SCHEMBL18941104 0.82 KMT2A (0.78) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL17444599 0.81 HCRTR1 (0.54) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL18941068 0.81 KMT2A (0.66) RAB9AKMT2AMEN1RXFP1MAPT
SCHEMBL18941258 0.80 AGBL2 (0.58) RAB9AKMT2AMEN1MAPTNPC1
SCHEMBL18941275 0.80 RXFP1 (0.58) RAB9AKMT2ARXFP1MAPTNPC1

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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 — — US disclosed
EP-3074378-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2016-10-05 — — EP disclosed
WO-2015074123-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2015-05-28 — — 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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 RAB9A 3741/4885KMT2A 2215/4885MEN1 3325/4885

“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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