SCHEMBL8449685

SCHEMBL8449685

Nc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
GPR35 Q9HC97 6/20 0.66
MAPK1 P28482 3/20 0.66
HPGD P15428 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
ALOX15 P16050 2/20 0.66
HSD17B10 Q99714 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
TTR P02766 1/20 0.66
CYP1A2 P05177 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
ALOX12 P18054 1/20 0.66
RECQL P46063 1/20 0.66
PMP22 Q01453 1/20 0.66
HIF1A Q16665 1/20 0.66
CYP3A4 P08684 2/20 0.63
LMNA P02545 1/20 0.61

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
SCHEMBL10885332 0.87 ALDH1A1 (0.57) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL266593 0.85 ALDH1A1 (0.76) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL221843 0.82 ALDH1A1 (0.67) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL5123353 0.82 GAA (0.60) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL4264263 0.80 ERN1 (0.51) ALDH1A1GPR35MAPK1HPGDTDP1
3,5-Dinitrocatechol (Or-486) SCHEMBL1283419 0.79 GPR35 (1.00) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL5556376 0.79 ALDH1A1 (0.68) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL754090 0.78 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL14549602 0.78 MAPK1 (0.47) ALDH1A1GPR35MAPK1HPGDTDP1
SCHEMBL14356236 0.78 ALDH1A1 (0.55) ALDH1A1GPR35MAPK1HPGDTDP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199881-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2024-06-20 US claimed
EP-4381016-A1 METAL COMPLEX DYES FOR INKJET PRINTING Videojet Technologies Inc. (US) 2024-06-12 EP claimed
CN-118043407-A Metal complex dyes for inkjet printing 录象射流技术公司 2024-05-14 CN claimed
WO-2023014703-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2023-02-09 WO claimed
US-5879411-A Composition and method for dyeing keratin fibers with o-benzoquinones and amino- or hydroxy-containing compounds WELLA AG (DE) 1999-03-09 US claimed
EP-0848942-A1 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-06-24 EP claimed
US-20240199881-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2024-06-20 US disclosed
EP-4381016-A1 METAL COMPLEX DYES FOR INKJET PRINTING Videojet Technologies Inc. (US) 2024-06-12 EP disclosed
CN-118043407-A Metal complex dyes for inkjet printing 录象射流技术公司 2024-05-14 CN disclosed
WO-2023014703-A1 METAL COMPLEX DYES FOR INKJET PRINTING VIDEOJET TECHNOLOGIES INC. (US) 2023-02-09 WO disclosed
US-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 US disclosed
US-5879411-A Composition and method for dyeing keratin fibers with o-benzoquinones and amino- or hydroxy-containing compounds WELLA AG (DE) 1999-03-09 US disclosed
EP-0848942-A1 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-06-24 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 (3 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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives KRT18, COXFA4L2, KAT5 ALDH1A1 96/4885GPR35 2710/4885MAPK1 442/4885
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES KRT18, COXFA4L2, KAT5 ALDH1A1 96/4885GPR35 2710/4885MAPK1 442/4885
US-20240199881-A1 METAL COMPLEX DYES FOR INKJET PRINTING TP53, RB1, MDM4 ALDH1A1 819/4885GPR35 4257/4885MAPK1 437/4885

“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.