SCHEMBL3472829

SCHEMBL3472829

O=c1cc(Cl)[nH]c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
NTRK1 P04629 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44

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
SCHEMBL6820026 0.82 FAAH (0.44) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL16321330 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL30998790 0.78 SMN1; SMN2 (0.49) KMT2AMEN1SMN1; SMN2GAAGSK3A
SCHEMBL1945403 0.78 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL13143119 0.78 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL9652503 0.78 SMN1; SMN2 (0.70) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL9375285 0.76 ERCC1 (0.62) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL30998822 0.76 SMN1; SMN2 (0.43) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL30998819 0.75 KMT2A (0.44) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL11622065 0.74 MEN1 (0.56) ALDH1A1LMNAKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO disclosed
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO disclosed
US-7241763-B2 3-furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
EP-1523485-B1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 EP disclosed
US-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US disclosed
EP-1523485-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-20 EP disclosed
WO-2004007499-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 WO disclosed
WO-2001029010-A1 GRAM-POSITIVE SELECTIVE ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2001-04-26 WO disclosed
US-4067982-A LOWERING BLOOD PRESSURE, ANALGESIC, SEDATIVE, ANTIHISTAMINE Gulden, Byk (DT) 1978-01-10 US disclosed
US-3957786-A HYPOTENSIVE AGENTS BYK GULDEN (DT) 1976-05-18 US 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-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors GRK3, GRK4, GRK6 ALDH1A1 4096/4885LMNA 2359/4885KMT2A 3254/4885

“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.