SCHEMBL2069934

SCHEMBL2069934

COC(=O)Nc1ccc([N+](=O)[O-])cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 1.00
HTT P42858 1/20 1.00
GAA P10253 2/20 0.76
ALDH1A1 P00352 7/20 0.67
GLA P06280 1/20 0.67
EPHX1 P07099 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ATM Q13315 1/20 0.67
KMT2A Q03164 4/20 0.66
KCNMA1 Q12791 2/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.63

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
SCHEMBL10657826 0.88 PKM (0.78) PKMHTTGAAALDH1A1GLA
SCHEMBL16592442 0.88 PKM (0.78) PKMHTTGAAALDH1A1GLA
SCHEMBL12359723 0.88 HTT (0.78) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL16592441 0.88 PKM (0.78) PKMHTTGAAALDH1A1GLA
SCHEMBL29884892 0.88 PKM (0.78) PKMHTTGAAALDH1A1GLA
SCHEMBL2069722 0.88 PKM (0.78) PKMHTTGAAALDH1A1GLA
SCHEMBL5285260 0.88 PKM (0.78) PKMHTTGAAALDH1A1GLA
SCHEMBL2070257 0.88 PKM (0.78) PKMHTTGAAALDH1A1GLA
SCHEMBL4219522 0.87 PKM (0.76) PKMHTTGAAALDH1A1GLA
SCHEMBL2069676 0.85 HTT (0.74) PKMHTTGAAALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 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 (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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 PKM 1029/4885HTT 3204/4885GAA 835/4885

“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.