SCHEMBL5708902

SCHEMBL5708902

Nc1cc(Cl)c2nsnc2c1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ MAPT P10636 4/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ TLR9 Q9NR96 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ XBP1 P17861 1/20 0.62
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TXNRD1 Q16881 3/20 0.39
▸ TXNRD3 Q86VQ6 3/20 0.39
▸ TXNRD2 Q9NNW7 3/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37

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
SCHEMBL5708797 0.84 ALDH1A1 (0.48) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL5708833 0.77 NPC1 (1.00) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL5708705 0.77 ALDH1A1 (0.44) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL5708761 0.72 MEN1 (0.46) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL3419143 0.71 MAPT (0.60) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL8874607 0.71 TSHR (0.59) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL5708847 0.69 TSHR (0.42) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL11293608 0.68 ALDH1A1 (0.51) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL14903380 0.68 ALDH1A1 (0.51) ALDH1A1MAPTNPC1LMNAHTT
SCHEMBL9771595 0.68 ALDH1A1 (0.60) ALDH1A1MAPTNPC1LMNAHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 — — EP claimed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 — — EP claimed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 — — WO claimed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 — — EP disclosed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 — — US disclosed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 — — EP disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 — — US disclosed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 — — 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B ALDH1A1 87/4885MAPT 2273/4885NPC1 4185/4885

“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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