SCHEMBL2070596

SCHEMBL2070596

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1OCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.64
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 4/20 0.51
MAPT P10636 4/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 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
SCHEMBL2070523 0.89 CYP19A1 (0.76) CYP19A1LMNAPKMHTTMAPT
SCHEMBL2070257 0.81 PKM (0.78) LMNAPKMHTTMAPTKMT2A
SCHEMBL9524084 0.78 LMNA (0.71) CYP19A1LMNAPKMHTTMAPT
SCHEMBL3295927 0.78 CYP19A1 (1.00) CYP19A1LMNAMAPTKMT2AMEN1
SCHEMBL2069989 0.78 PKM (0.57) CYP19A1PKMHTTMAPTKMT2A
SCHEMBL2070549 0.76 MAPT (0.70) LMNAPKMHTTMAPTKMT2A
SCHEMBL5972041 0.76 HTT (0.69) LMNAPKMHTTMAPTKMT2A
SCHEMBL11159531 0.75 MAPT (0.62) LMNAPKMHTTMAPTKMT2A
SCHEMBL2070357 0.75 KMT2A (0.55) LMNAPKMHTTMAPTKMT2A
SCHEMBL1818400 0.75 ALDH1A1 (0.53) CYP19A1LMNAHTTMAPTKMT2A

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 CYP19A1 93/4885LMNA 2588/4885PKM 1029/4885

“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.