SCHEMBL2069722

SCHEMBL2069722

COc1cc([N+](=O)[O-])ccc1NC(=O)OC(C)C

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.78
HTT P42858 1/20 0.78
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.67
MAPT P10636 3/20 0.64
KDM4E B2RXH2 1/20 0.64
ATM Q13315 1/20 0.61
GLA P06280 1/20 0.60
EPHX1 P07099 1/20 0.60
KMT2A Q03164 4/20 0.59
LMNA P02545 1/20 0.58
KCNMA1 Q12791 1/20 0.58
MEN1 O00255 1/20 0.56

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
SCHEMBL2069934 0.88 PKM (1.00) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL29884892 0.82 PKM (0.78) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL16592441 0.82 PKM (0.78) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL10657826 0.82 PKM (0.78) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL16592442 0.82 PKM (0.78) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL2070257 0.82 PKM (0.78) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL5285260 0.82 PKM (0.78) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL4219522 0.81 PKM (0.76) PKMHTTALDH1A1SMN1; SMN2GAA
SCHEMBL1820228 0.80 MEN1 (0.64) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL2069676 0.80 HTT (0.74) PKMHTTALDH1A1SMN1; SMN2GAA

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 4 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
EP-1613303-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. Lundbeck A/S (DK) 2006-01-11 EP disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 WO 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 3204/4885ALDH1A1 112/4885

“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.