SCHEMBL5708838

SCHEMBL5708838

O=[N+]([O-])c1c(Nc2ccccc2)cc(Br)c2nsnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.46
▸ KMT2A Q03164 9/20 0.46
▸ POLB P06746 2/20 0.46
▸ BCL6 P41182 1/20 0.46
▸ BCOR Q6W2J9 1/20 0.46
▸ MAPT P10636 7/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ WNK1 Q9H4A3 1/20 0.41
▸ MYC P01106 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TLR9 Q9NR96 2/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL5708726 0.75 KMT2A (0.47) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL28137677 0.75 L3MBTL1 (0.50) MEN1KMT2APOLBBCL6BCOR
SCHEMBL16352567 0.72 L3MBTL1 (0.55) MEN1KMT2APOLBBCL6BCOR
SCHEMBL16352522 0.71 TDP1 (0.57) MEN1KMT2APOLBBCL6BCOR
SCHEMBL16174932 0.68 TDP1 (0.67) MEN1KMT2APOLBBCL6BCOR
SCHEMBL11554686 0.67 L3MBTL1 (0.63) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL31252374 0.67 MAPT (0.68) MEN1KMT2APOLBBCL6BCOR
SCHEMBL10814713 0.66 ALDH1A1 (0.54) MEN1KMT2APOLBBCL6BCOR
SCHEMBL16615575 0.65 HSD17B10 (0.52) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL4720362 0.65 TDP1 (0.57) MEN1KMT2APOLBBCL6BCOR

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 10 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
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 claimed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 — — EP claimed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 — — US 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 MEN1 2811/4885KMT2A 686/4885POLB 838/4885

“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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