SCHEMBL4604552

SCHEMBL4604552

CCC(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
MAOB P27338 5/20 0.56
MAOA P21397 1/20 0.56
FFAR1 O14842 1/20 0.52
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL28317001 0.79 MAOB (0.79) MAPTMAOBMAOAFFAR1MEN1
SCHEMBL4606396 0.76 ALDH1A1 (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28966940 0.75 ALDH1A1 (0.60) MAOBCTSVCTSLMEN1KMT2A
SCHEMBL10990654 0.74 MAOB (0.72) MAPTMAOBMAOAL3MBTL1
SCHEMBL12763816 0.73 MEN1 (0.56) MAPTMAOBMAOACTSVCTSL
SCHEMBL28547278 0.73 MAOB (0.70) MAPTMAOBMAOAFFAR1MEN1
SCHEMBL27792404 0.73 MEN1 (0.70) MAPTMAOBMAOACTSVCTSL
SCHEMBL17554366 0.73 MAOB (0.73) MAPTMAOBMAOAFFAR1MEN1
SCHEMBL10991540 0.73 MAOB (0.70) MAOBMAOAFFAR1
SCHEMBL10987251 0.73 MAOB (0.69) MAOBMAOAFFAR1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 MAPT 3698/4885MAOB 1445/4885MAOA 2812/4885

“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.