SCHEMBL2070549

SCHEMBL2070549

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
ALDH1A1 P00352 7/20 0.70
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
HTT P42858 5/20 0.58
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL2070181 0.91 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL11086324 0.89 KMT2A (0.76) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL31261387 0.88 MAPT (0.59) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL11159531 0.87 MAPT (0.62) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2070357 0.87 KMT2A (0.55) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL2073096 0.86 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL7576322 0.86 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL2069778 0.86 MAPT (0.69) MAPTALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL2070257 0.85 PKM (0.78) MAPTALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL10629031 0.85 MAPT (0.81) MAPTALDH1A1SMN1; SMN2KMT2AL3MBTL1

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 MAPT 3488/4885ALDH1A1 112/4885SMN1; SMN2 2951/4885

“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.