SCHEMBL5708820

SCHEMBL5708820

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ TLR9 Q9NR96 5/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ HTT P42858 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ MEN1 O00255 12/20 0.50
▸ KMT2A Q03164 12/20 0.50
▸ POLB P06746 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ TNF P01375 1/20 0.44

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
SCHEMBL3502541 0.84 MEN1 (0.50) MAPTNPC1TLR9RAB9AHTT
SCHEMBL5708771 0.74 NPC1 (0.73) MAPTNPC1TLR9RAB9AHTT
SCHEMBL5708812 0.74 NQO2 (0.35) ALDH1A1
SCHEMBL5708726 0.74 KMT2A (0.47) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL28373141 0.74 MEN1 (0.46) MAPTNPC1TLR9RAB9AHTT
SCHEMBL18510270 0.71 ALDH1A1 (0.41) MAPTALDH1A1LMNA
SCHEMBL3192786 0.70 IDO1 (0.57) MAPTHTTMEN1KMT2APOLB
SCHEMBL5708833 0.70 NPC1 (1.00) MAPTNPC1TLR9RAB9AHTT
SCHEMBL6759012 0.66 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL4370342 0.64 MEN1 (0.66) MAPTALDH1A1LMNAMEN1KMT2A

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 19 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
CN-115485275-A Compounds and compositions that inhibit HIF 2-alpha activity and methods of use thereof 诺华股份有限公司 2022-12-16 — — CN disclosed
US-9757379-B2 Inhibition of HIF-2α heterodimerization with HIF1β (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-09-12 — — US disclosed
US-9757379-B2 Inhibition of HIF-2α heterodimerization with HIF1β (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-09-12 — — US disclosed
US-9757379-B2 Inhibition of HIF-2α heterodimerization with HIF1β (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-09-12 — — US disclosed
US-20160250216-A1 INHIBITION OF HIF-2ALPHA HETERODIMERIZATION WITH HIF1BETA (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-01 — — US disclosed
US-20160250216-A1 INHIBITION OF HIF-2ALPHA HETERODIMERIZATION WITH HIF1BETA (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-01 — — US disclosed
US-20160250216-A1 INHIBITION OF HIF-2ALPHA HETERODIMERIZATION WITH HIF1BETA (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-01 — — US disclosed
EP-2919770-A2 INHIBITION OF HIF-2 HETERODIMERIZATION WITH HIF1 (ARNT) The Board of Regents of The University of Texas System (US) 2015-09-23 — — EP disclosed
WO-2014078479-A2 INHIBITION OF HIF-2α HETERODIMERIZATION WITH HIF1β (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-22 — — 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-20160250216-A1 INHIBITION OF HIF-2ALPHA HETERODIMERIZATION WITH HIF1BETA (ARNT) HIF1AN, HIF1A, EGLN2 MAPT 4061/4885NPC1 2955/4885TLR9 4723/4885
US-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B MAPT 2273/4885NPC1 4185/4885TLR9 4225/4885

“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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