SCHEMBL300103

SCHEMBL300103

CCN(CC)c1cc(Cl)c2nonc2c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ MAPT P10636 8/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ TLR9 Q9NR96 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ XBP1 P17861 1/20 0.57
▸ MEN1 O00255 9/20 0.57
▸ KMT2A Q03164 9/20 0.57
▸ POLB P06746 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57

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
SCHEMBL5708771 0.77 NPC1 (0.73) L3MBTL1MAPTNPC1TLR9RAB9A
SCHEMBL5708833 0.73 NPC1 (1.00) L3MBTL1MAPTNPC1TLR9RAB9A
SCHEMBL1076589 0.70 MEN1 (0.60) GAAL3MBTL1MAPTNPC1RAB9A
SCHEMBL13401763 0.68 MAPT (0.65) GAAL3MBTL1MAPTNPC1TLR9
SCHEMBL13401485 0.67 LIG1 (1.00) L3MBTL1MAPTNPC1TLR9RAB9A
SCHEMBL5708840 0.67 MAPT (0.48) GAAL3MBTL1MAPTALDH1A1HTT
SCHEMBL5708737 0.66 MEN1 (0.64) GAAL3MBTL1MAPTNPC1TLR9
SCHEMBL3707610 0.65 MEN1 (0.61) L3MBTL1MAPTNPC1TLR9RAB9A
SCHEMBL7089706 0.65 MEN1 (0.66) MAPTNPC1TLR9RAB9AALDH1A1
SCHEMBL23234735 0.65 MAPT (0.45) GAAL3MBTL1MAPTNPC1RAB9A

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 13 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
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 — — US disclosed
EP-2427442-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 — — EP disclosed
WO-2010128156-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 — — WO disclosed
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 (2 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-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS GAA 2966/4885L3MBTL1 2745/4885MAPT 4682/4885
US-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B GAA 4684/4885L3MBTL1 4491/4885MAPT 2273/4885

“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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