SCHEMBL928630

SCHEMBL928630

O=Cc1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 1.00
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
XDH P47989 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL11852991 0.84 ERN1 (0.73) ERN1ALDH1A1MAPTMEN1HTT
SCHEMBL15332707 0.83 ERN1 (0.71) ERN1ALDH1A1MAPTMEN1HTT
SCHEMBL15332711 0.83 ERN1 (0.71) ERN1ALDH1A1MAPTMEN1HTT
SCHEMBL4144580 0.82 ERN1 (0.69) ERN1ALDH1A1MAPTMEN1HTT
SCHEMBL11858729 0.81 ERN1 (0.69) ERN1ALDH1A1MAPTMEN1HTT
SCHEMBL11858714 0.81 ERN1 (0.69) ERN1ALDH1A1MAPTMEN1HTT
SCHEMBL14198018 0.81 ERN1 (0.69) ERN1ALDH1A1MAPTMEN1HTT
SCHEMBL831073 0.80 ERN1 (0.67) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29441809 0.80 ERN1 (0.67) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL15783651 0.80 XDH (0.71) ERN1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820329-A Spiropyran derivative and synthetic method and application thereof 陕西科技大学 2024-04-05 CN claimed
US-11918671-B2 Multi-tone hair dyeing method in three steps HENKEL AG & CO. KGAA (DE) 2024-03-05 US claimed
CN-117209741-A Preparation method of Schiff base catalyst and preparation method of polyglycolic acid 中国科学院长春应用化学研究所 2023-12-12 CN claimed
US-20230031764-A1 MULTI-TONE HAIR DYEING METHOD IN THREE STEPS HENKEL AG & CO. KGAA (DE) 2023-02-02 US claimed
US-20220257483-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL HENKEL AG & CO. KGAA (DE) 2022-08-18 US claimed
CN-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN claimed
EP-4003286-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL Henkel AG & Co. KGaA (DE) 2022-06-01 EP claimed
CN-114173750-A Improving the stability of agents for treating keratin materials 汉高股份有限及两合公司 2022-03-11 CN claimed
WO-2021110306-A1 MULTI-TONE HAIR DYEING METHOD IN THREE STEPS HENKEL AG & CO. KGAA (DE) 2021-06-10 WO claimed
WO-2021013420-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL HENKEL AG & CO. KGAA (DE) 2021-01-28 WO claimed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
WO-2004058200-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1433469-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
WO-2000038634-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed

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-20220257483-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL KRT18, VIM, CDH1 ERN1 2313/4885ALDH1A1 143/4885MAPT 1677/4885
US-11918671-B2 Multi-tone hair dyeing method in three steps TYR, HAO2, HAAO ERN1 4459/4885ALDH1A1 111/4885MAPT 2879/4885
US-20230031764-A1 MULTI-TONE HAIR DYEING METHOD IN THREE STEPS TYR, HAO2, HAAO ERN1 4459/4885ALDH1A1 111/4885MAPT 2879/4885

“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.