SCHEMBL2072200

SCHEMBL2072200

Cc1cc([N+](=O)[O-])ccc1NC(=O)CC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
HPGD P15428 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 5/20 0.62
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CCR6 P51684 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.53

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
SCHEMBL14192526 0.84 ALDH1A1 (0.73) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL10674588 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL30168150 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL14202810 0.83 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL18549005 0.82 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL3614658 0.81 L3MBTL1 (0.55) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL2071235 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL31261387 0.81 MAPT (0.59) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL3271853 0.81 ALDH1A1 (0.68) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL4490833 0.81 ALDH1A1 (0.68) ALDH1A1L3MBTL1KMT2AMEN1HPGD

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 ALDH1A1 112/4885L3MBTL1 4646/4885KMT2A 3706/4885

“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.