SCHEMBL5100271

SCHEMBL5100271

CC(=O)Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.65
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 5/20 0.54
ADORA2A P29274 1/20 0.50
TERT O14746 4/20 0.49
CASP3 P42574 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MMP14 P50281 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
SCHEMBL6370986 0.90 MAOA (0.77) MAOAHSP90AA1HSP90AB1TERTCASP3
SCHEMBL13564105 0.85 MAOA (0.71) MAOAHSP90AA1HSP90AB1TERTCASP3
SCHEMBL11880339 0.83 MAOA (0.67) MAOAHSP90AA1HSP90AB1TERTCASP3
SCHEMBL7034212 0.82 MEN1 (0.70) HSP90AA1HSP90AB1ADORA2ACASP3ALDH1A1
SCHEMBL30546483 0.82 MEN1 (0.70) HSP90AA1HSP90AB1ADORA2ACASP3ALDH1A1
SCHEMBL9846483 0.81 MAOA (0.74) MAOAHSP90AA1HSP90AB1TERTCASP3
SCHEMBL8604260 0.81 MAOA (0.65) MAOAHSP90AA1HSP90AB1TERTCASP3
SCHEMBL7193552 0.81 MAOA (0.74) MAOAHSP90AA1HSP90AB1TERTCASP3
SCHEMBL8777722 0.81 MEN1 (0.69) MAOAHSP90AA1HSP90AB1ADORA2ATERT
SCHEMBL11568163 0.80 MAOA (0.63) MAOAHSP90AA1HSP90AB1TERTCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335676-B2 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-7119114-B1 Pyrazoloanthrone and derivatives thereof as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2006-10-10 US disclosed
EP-1608363-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK Signal Pharmaceuticals, Inc. (US) 2005-12-28 EP disclosed
WO-2004084891-A1 METHODS FOR TREATING INFLAMMATORY CONDITIONS OR INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed
US-20040176434-A1 Methods for treating inflammatory conditions or inhibiting JNK BENNETT BRYDON L (US) 2004-09-09 US disclosed
US-20040072888-A1 Methods for treating inflammatory conditions or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-04-15 US disclosed
EP-1218347-A1 PYRAZOLOANTHRONE AND DERIVATIVES THEREOF AS JNK INHIBITORS AND THEIR COMPOSITIONS SIGNAL PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
WO-2001012609-A1 PYRAZOLOANTHRONE AND DERIVATIVES THEREOF AS JNK INHIBITORS AND THEIR COMPOSITIONS SIGNAL PHARMACEUTICALS, INC. (US) 2001-02-22 WO disclosed
US-4082778-A ANTHRAQUINONE DYES, ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1978-04-04 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 (2 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-20040072888-A1 Methods for treating inflammatory conditions or inhibiting JNK MAPKAPK2, MAPK1, MAP3K1 MAOA 3672/4885HSP90AA1 336/4885HSP90AB1 248/4885
US-20040176434-A1 Methods for treating inflammatory conditions or inhibiting JNK MAPKAPK2, MAPK1, MAP3K1 MAOA 3672/4885HSP90AA1 336/4885HSP90AB1 248/4885

“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.