SCHEMBL2069989

SCHEMBL2069989

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
CYP19A1 P11511 2/20 0.57
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KMT2A Q03164 4/20 0.53
GAA P10253 1/20 0.51
MAPT P10636 4/20 0.50
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL2070257 0.86 PKM (0.78) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2070549 0.82 MAPT (0.70) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5972041 0.81 HTT (0.69) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11159531 0.81 MAPT (0.62) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2070357 0.81 KMT2A (0.55) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL7576322 0.80 ALDH1A1 (0.56) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2073096 0.80 ALDH1A1 (0.54) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL2069778 0.80 MAPT (0.69) PKMHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11086324 0.79 KMT2A (0.76) HTTALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL2069938 0.79 CYP19A1 (0.60) PKMHTTCYP19A1ALDH1A1SMN1; SMN2

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 3204/4885CYP19A1 93/4885

“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.