SCHEMBL4602983

SCHEMBL4602983

COC(=O)c1cc([N+](=O)[O-])ccc1NC(=O)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 3/20 0.52
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 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
SCHEMBL5629195 0.82 SMN1; SMN2 (0.60) ALDH1A1KDM4EHPGDNPSR1HTT
SCHEMBL17085330 0.82 PKM (0.68) ALDH1A1KDM4EHTTPKMGAA
SCHEMBL27901529 0.81 NPC1 (0.62) NAMPTALDH1A1NPSR1HTTLMNA
SCHEMBL6160631 0.79 MAPT (0.72) ALDH1A1KDM4EHTTPKMLMNA
SCHEMBL26758035 0.79 RXFP1 (0.52) ALDH1A1KDM4EHSD17B10HPGDNPSR1
SCHEMBL29051742 0.79 GAA (0.70) NAMPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL4604780 0.79 KDM4E (0.60) ALDH1A1KDM4EHSD17B10HPGDNPSR1
SCHEMBL28595943 0.79 PKM (0.66) ALDH1A1NPSR1HTTPKMLMNA
SCHEMBL6513296 0.78 ALDH1A1 (0.51) ALDH1A1HTTPKMLMNAGAA
SCHEMBL202986 0.78 PKM (0.48) ALDH1A1KDM4EHTTPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1914152-B New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB 2010-06-09 CN disclosed
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
CN-1914152-A New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2007-02-14 CN 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 NAMPT 1536/4885ALDH1A1 308/4885KDM4E 2898/4885

“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.