SCHEMBL18680106

SCHEMBL18680106

CC(C)(C)C(=O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
DYRK1A Q13627 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
ALDH1A1 P00352 2/20 0.33
DAO P14920 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL15981916 0.81 HPGD (0.52) HPGDLMNAGAADYRK1AMAPT
SCHEMBL14688254 0.80 HPGD (0.46) HPGDLMNAMAPTPOLBALDH1A1
SCHEMBL26820 0.79 HPGD (0.54) HPGDHCAR2DAOHCAR3
SCHEMBL42514 0.77 HPGD (0.52) HPGDLMNAGAADYRK1AMAPT
SCHEMBL5013388 0.77 HPGD (0.52) HPGDLMNADYRK1AMAPTHCAR2
Hydrochloric Acid SCHEMBL27727584 0.77 HPGD (0.52) HPGDHCAR2DAOHCAR3
SCHEMBL6305513 0.77 HPGD (0.49) HPGDLMNAGAADYRK1AHCAR2
SCHEMBL25449 0.77 MAPK1 (0.57) HPGDGAADYRK1AMAPTPOLB
SCHEMBL17928435 0.74 HPGD (0.49) HPGDLMNADYRK1AMAPTPOLB
SCHEMBL14620257 0.73 HPGD (0.49) HPGDDYRK1AMAPTHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018174-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MED SYST INC (US) 2024-01-18 US disclosed
US-11860167-B2 Application of click chemistry for signal amplification in IHC and ISH assays VENTANA MEDICAL SYSTEMS, INC. (US) 2024-01-02 US disclosed
US-11780863-B2 Quinone methide analog signal amplification VENTANA MEDICAL SYSTEMS, INC. (US) 2023-10-10 US disclosed
US-20170089911-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MEDICAL SYSTEMS, INC. 2017-03-30 US disclosed
US-20170089911-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION VENTANA MEDICAL SYSTEMS, INC. 2017-03-30 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 (4 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-11780863-B2 Quinone methide analog signal amplification NQO2, SQOR, MRM1 HPGD 634/4885LMNA 3732/4885GAA 231/4885
US-11860167-B2 Application of click chemistry for signal amplification in IHC and ISH assays MKI67, TIE1, ALK HPGD 1604/4885LMNA 3260/4885GAA 4441/4885
US-20240018174-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION NQO2, SQOR, MRM1 HPGD 634/4885LMNA 3732/4885GAA 231/4885
US-20170089911-A1 QUINONE METHIDE ANALOG SIGNAL AMPLIFICATION NQO2, SQOR, MRM1 HPGD 634/4885LMNA 3732/4885GAA 231/4885

“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.