SCHEMBL7081733

SCHEMBL7081733

CCN(CC)c1cc(Br)c2nsnc2c1[N+](=O)[O-].Cc1cc([N+](=O)[O-])c2nsnc2c1Cl.Nc1cc(Cl)c2nsnc2c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH3A1 P30838 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL5708840 0.79 MAPT (0.48) MAPTALDH1A1LMNATP53HPGD
SCHEMBL5708846 0.72 TXNRD1 (0.49) ALDH1A1LMNAHPGDRAB9ASMN1; SMN2
SCHEMBL5708902 0.72 ALDH1A1 (0.62) MAPTNPC1ALDH1A1LMNATP53
SCHEMBL6849909 0.64 — —
SCHEMBL5708816 0.62 TXNRD1 (0.51) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL29374862 0.62 MAPT (0.57) MAPTNPC1ALDH1A1LMNATP53
SCHEMBL11523233 0.62 GRIN2D (0.41) MAPTALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL300103 0.61 GAA (0.59) MAPTNPC1ALDH1A1LMNATP53
SCHEMBL5708797 0.61 ALDH1A1 (0.48) MAPTNPC1ALDH1A1LMNATP53
SCHEMBL5708726 0.61 KMT2A (0.47) MAPTALDH1A1HPGDKMT2AL3MBTL1

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-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 — — US claimed

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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B MAPT 2273/4885NPC1 4185/4885ALDH1A1 87/4885

“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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