SCHEMBL5708840

SCHEMBL5708840

CCN(CC)c1cc(Br)c2nsnc2c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TXNRD1 Q16881 2/20 0.36
▸ TXNRD3 Q86VQ6 2/20 0.36
▸ TXNRD2 Q9NNW7 2/20 0.36
▸ HCAR3 P49019 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDE3B Q13370 2/20 0.32
▸ PDE3A Q14432 2/20 0.32
▸ SLFN12 Q8IYM2 1/20 0.32

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
SCHEMBL7081733 0.79 MAPT (0.35) MAPTL3MBTL1KMT2AHTTTP53
SCHEMBL5708726 0.77 KMT2A (0.47) MAPTL3MBTL1KMT2AALDH1A1HPGD
SCHEMBL29374862 0.70 MAPT (0.57) MAPTL3MBTL1KMT2AHTTTP53
SCHEMBL300103 0.67 GAA (0.59) MAPTL3MBTL1KMT2AGAAHTT
SCHEMBL28482136 0.66 KMT2A (0.56) MAPTL3MBTL1KMT2AALDH1A1TXNRD1
SCHEMBL34472003 0.65 MAPT (0.60) MAPTL3MBTL1KMT2AGAAMAPK1
SCHEMBL5708838 0.65 MEN1 (0.46) MAPTL3MBTL1KMT2AGAAHTT
SCHEMBL3619569 0.64 MAPT (0.44) MAPTL3MBTL1KMT2AGAAALDH1A1
SCHEMBL2418995 0.64 MAPT (0.42) MAPTL3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL5708807 0.63 MAPT (0.39) MAPTL3MBTL1KMT2AHPGDTXNRD1

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 MAPT 2273/4885L3MBTL1 4491/4885KMT2A 686/4885

“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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