SCHEMBL2070523

SCHEMBL2070523

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.76
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.56
PPIA P62937 1/20 0.55
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2070596 0.89 CYP19A1 (0.64) CYP19A1MEN1MAPTKMT2ALMNA
SCHEMBL5381129 0.86 CYP19A1 (1.00) CYP19A1MEN1MAPTKMT2ALMNA
SCHEMBL9524084 0.84 LMNA (0.71) CYP19A1MEN1MAPTKMT2ALMNA
SCHEMBL13297761 0.83 CYP19A1 (0.77) CYP19A1MEN1MAPTKMT2ALMNA
SCHEMBL2070257 0.82 PKM (0.78) MEN1MAPTKMT2ALMNAPKM
SCHEMBL13297754 0.82 CYP19A1 (0.75) CYP19A1MEN1MAPTKMT2ALMNA
SCHEMBL9524409 0.81 NPC1 (0.64) CYP19A1MEN1MAPTKMT2ALMNA
SCHEMBL7370166 0.81 CYP19A1 (0.66) CYP19A1MEN1MAPTKMT2APPIA
SCHEMBL13297757 0.80 CYP19A1 (0.72) CYP19A1MEN1MAPTKMT2ALMNA
SCHEMBL2069989 0.79 PKM (0.57) CYP19A1MEN1MAPTKMT2APKM

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 CYP19A1 93/4885MEN1 1715/4885MAPT 3488/4885

“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.