SCHEMBL4698006

SCHEMBL4698006

Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.48
▸ MEN1 O00255 9/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL29427954 0.84 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10867794 0.84 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10867802 0.84 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL15533593 0.82 PRMT1 (0.51) NQO2MEN1KMT2AMAPTALDH1A1
SCHEMBL14690729 0.82 SENP7 (0.50) NQO2MEN1KMT2AMAPTALDH1A1
SCHEMBL14690728 0.82 SENP7 (0.50) NQO2MEN1KMT2AMAPTALDH1A1
SCHEMBL6579225 0.81 MEN1 (0.66) NQO2MEN1KMT2AMAPTALDH1A1
SCHEMBL6579230 0.81 MEN1 (0.66) NQO2MEN1KMT2AMAPTALDH1A1
SCHEMBL1572611 0.80 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3435541 0.80 MEN1 (0.51) NQO2MEN1KMT2AMAPTALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119356-A1 Ophthalmic Viscoelastic Device CARL ZEISS MEDITEC AG (DE) 2015-04-30 — — US disclosed
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 — — EP disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 — — US disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 — — EP disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 — — EP disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 — — US disclosed
US-6159250-A Doubled reactive dyes BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 — — US disclosed
EP-0733680-B1 Reactive dyes with a benzo-anellated heterocycle as reactive group BASF AG (DE) 2000-01-05 — — EP disclosed
US-5929217-A FOR DYEING OR PRINTING SUBSTRATES HAVING HYDROXYL GROUPS OR NITROGEN ATOMS BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 — — US disclosed
EP-0799260-B1 PROCESS FOR PREPARING DYED MELAMINE-FORMALDEHYDE CONDENSATION PRODUCTS BASF AG (DE) 1999-05-06 — — EP disclosed
EP-0307817-A1 Double reacting dyes and benzyl sulfonyl intermediates BASF Aktiengesellschaft (DE) 1989-03-22 — — EP disclosed
US-4719053-A FOR DYES HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-12 — — US disclosed
US-4677199-A Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals BASF AKTIENGESELLSCHAFT (DE) 1987-06-30 — — US disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 — — EP disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 — — EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 — — EP disclosed
US-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 — — US disclosed
EP-0012969-B1 WATER-SOLUBLE FIBRE-REACTIVE COMPOUNDS AND THEIR USE IN FIBRE FINISHING,ESPECIALLY AS DYESTUFFS,AND DIHALOGENO-PYRIDAZONYL-CARBOXYLIC AND SULFONIC ACID HALIDES AND THEIR USE AS FIBRE-REACTIVE ANCHORS,AS WELL AS PROCESS FOR THE PREPARATION OF THESE COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-08 — — EP disclosed
EP-0045488-A2 Water-soluble fibre-reactive compounds and their use in finishing textiles, as well as the beta-chloroethyl-sulfonyl-methyl-benzoic-acid halogenides, and their use as a fibre-reactive anchor HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-10 — — EP disclosed
EP-0012969-A2 Water-soluble fibre-reactive compounds and their use in fibre finishing,especially as dyestuffs,and dihalogeno-pyridazonyl-carboxylic and sulfonic acid halides and their use as fibre-reactive anchors,as well as process for the preparation of these compound HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 — — EP 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-20150119356-A1 Ophthalmic Viscoelastic Device UACA, ICAM1, VIM NQO2 1031/4885MEN1 3876/4885KMT2A 3415/4885

“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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