SCHEMBL5708771

SCHEMBL5708771

O=[N+]([O-])c1c(Cl)cc(Cl)c2nonc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.73
▸ TLR9 Q9NR96 6/20 0.73
▸ MAPT P10636 6/20 0.73
▸ RAB9A P51151 5/20 0.73
▸ ALDH1A1 P00352 4/20 0.73
▸ HTT P42858 4/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ LMNA P02545 2/20 0.73
▸ TP53 P04637 1/20 0.73
▸ HPGD P15428 1/20 0.73
▸ XBP1 P17861 1/20 0.73
▸ MEN1 O00255 10/20 0.67
▸ KMT2A Q03164 10/20 0.67
▸ OPRK1 P41145 3/20 0.67
▸ MAPK1 P28482 3/20 0.67
▸ NPSR1 Q6W5P4 3/20 0.67
▸ POLB P06746 2/20 0.67
▸ OPRD1 P41143 2/20 0.67
▸ GPR55 Q9Y2T6 2/20 0.67
▸ LIG1 P18858 1/20 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
SCHEMBL5708833 0.84 NPC1 (1.00) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL300103 0.77 GAA (0.59) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL5708737 0.76 MEN1 (0.64) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL7089706 0.75 MEN1 (0.66) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL13401763 0.75 MAPT (0.65) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL5708797 0.74 ALDH1A1 (0.48) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL5708810 0.74 ALDH1A1 (0.48) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL5708820 0.74 MAPT (0.54) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL13401485 0.74 LIG1 (1.00) NPC1TLR9MAPTRAB9AALDH1A1
SCHEMBL3707610 0.72 MEN1 (0.61) NPC1TLR9MAPTRAB9AALDH1A1

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 22 patents — showing the first 20. 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-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins DUMONCEAUX JULIE 2008-12-18 — — US disclosed
US-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins DUMONCEAUX JULIE 2008-12-18 — — US disclosed
US-7361503-B2 Sequences encoding hepatitis C virus glycoproteins ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-04-22 — — US disclosed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 — — EP disclosed
EP-0884390-B1 Method for producing an optically active compound KYOWA HAKKO KOGYO KK (JP) 2006-05-10 — — 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
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 — — WO disclosed
US-20020006645-A1 Method for producing optically active compound HASHIMOTO SHIN-ICHI (JP) 2002-01-17 — — US disclosed
EP-0641862-B1 Process for producing trans-4-hydroxy-L-proline KYOWA HAKKO KOGYO KK (JP) 2001-12-12 — — EP disclosed
US-6207427-B1 ALLOWING RECOMBINANT MICROORGANISM CARRYING RECOMBINANT DNA HARBORING (S)-4-HYDROXY-2-KETOGLUTARIC ACID ALDOLASE GENE TO ACT ON SUGAR AND GLYOXYLIC ACID IN AN AQUEOUS MEDIUM, AND COLLECTING OPTICALLY ACTIVE (S)-4-HYDROXY-2-KETOGLUTARIC ACID KYOWA HAKKO KOGYO, LTD. (JP) 2001-03-27 — — US disclosed
EP-0884390-A2 Method for producing an optically active compound KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-12-16 — — EP disclosed
EP-0645457-B1 L-proline-3-hydroxylase and process for producing cis-3-hydroxy-L-proline KYOWA HAKKO KOGYO KK (JP) 1998-04-01 — — EP disclosed
EP-0645457-A2 Process for producing cis-3-hydroxy-L-proline KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-03-29 — — EP disclosed
US-5248770-A Labels such as fluorescent or radioactive compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-09-28 — — US 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B NPC1 4185/4885TLR9 4225/4885MAPT 2273/4885
US-20080311150-A1 Novel sequences encoding hepatitis C virus glycoproteins HAVCR2, EEA1, SELPLG NPC1 325/4885TLR9 2286/4885MAPT 4832/4885

“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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