SCHEMBL18941185

SCHEMBL18941185

O=C(Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.82
▸ LMNA P02545 4/20 0.82
▸ SETD7 Q8WTS6 1/20 0.82
▸ RAB9A P51151 10/20 0.71
▸ NPC1 O15118 10/20 0.71
▸ SMN1; SMN2 Q16637 6/20 0.71
▸ MEN1 O00255 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ ALDH1A1 P00352 3/20 0.67
▸ TP53 P04637 3/20 0.66
▸ HPGD P15428 1/20 0.66
▸ PKM P14618 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ POLB P06746 2/20 0.64
▸ BLM P54132 1/20 0.64
▸ BAZ1A Q9NRL2 1/20 0.63
▸ TSHR P16473 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62

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
SCHEMBL8712551 0.86 MAPT (0.72) MAPTLMNASETD7RAB9ANPC1
SCHEMBL16620958 0.83 RAB9A (1.00) MAPTLMNASETD7RAB9ANPC1
SCHEMBL10943066 0.81 KMT2A (0.94) MAPTLMNASETD7RAB9ANPC1
SCHEMBL6295679 0.80 NPC1 (1.00) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL108116 0.80 NPC1 (1.00) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL18941224 0.80 NPC1 (0.72) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL32690121 0.79 MEN1 (1.00) MAPTLMNASETD7RAB9ANPC1
SCHEMBL18300094 0.79 MEN1 (1.00) MAPTLMNASETD7RAB9ANPC1
SCHEMBL27179668 0.78 RAB9A (0.90) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL94830 0.78 KMT2A (0.88) MAPTLMNASETD7RAB9ANPC1

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 1 patent. 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

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 MAPT 2167/4885LMNA 971/4885SETD7 3200/4885

“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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