SCHEMBL3535207

SCHEMBL3535207

CCOC(=O)COc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 2/20 0.56
HPGD P15428 4/20 0.55
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL13215131 0.90 POLB (0.52) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7778630 0.86 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL8865199 0.86 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL27456246 0.85 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL13215153 0.85 POLB (0.57) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4861216 0.84 S1PR4 (0.53) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL3536740 0.84 ALDH1A1 (0.60) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL20042055 0.84 ALDH1A1 (0.55) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL17538570 0.83 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6978171 0.83 SMN1; SMN2 (0.54) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD MAPT 3047/4885ALDH1A1 926/4885LMNA 1974/4885

“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.