SCHEMBL5464893

SCHEMBL5464893

COc1ccc(Nc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.78
CA2 P00918 4/20 0.78
PARP10 Q53GL7 3/20 0.78
PARP4 Q9UKK3 2/20 0.78
PARP1 P09874 1/20 0.78
PARP2 Q9UGN5 1/20 0.78
NPC1 O15118 4/20 0.63
MAPT P10636 3/20 0.63
RAB9A P51151 3/20 0.63
KDM4E B2RXH2 2/20 0.63
GAA P10253 2/20 0.63
THRB P10828 1/20 0.63
MAPK1 P28482 1/20 0.63
RECQL P46063 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NR4A1 P22736 1/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58

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
SCHEMBL201761 0.88 PARP10 (1.00) CA1CA2PARP10PARP4PARP1
Hydrochloric Acid SCHEMBL408766 0.86 PARP10 (0.95) CA1CA2PARP10PARP4PARP1
Hydrochloric Acid SCHEMBL4376056 0.86 PARP10 (0.95) CA1CA2PARP10PARP4PARP1
SCHEMBL11895727 0.86 RAB9A (0.76) CA1CA2PARP10PARP4PARP1
SCHEMBL4645978 0.84 PARP1 (0.61) CA1CA2PARP10PARP4PARP1
SCHEMBL5436969 0.83 CA1 (0.81) CA1CA2NPC1MAPTRAB9A
SCHEMBL5442673 0.83 CA1 (0.77) CA1CA2NPC1MAPTRAB9A
SCHEMBL5460493 0.83 MAPT (0.65) CA1CA2PARP10PARP4PARP1
SCHEMBL7442028 0.82 PARP10 (0.88) CA1CA2PARP10PARP4PARP1
Acetic Acid SCHEMBL28396208 0.82 PARP10 (0.88) CA1CA2PARP10PARP4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 WO claimed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 US claimed
CN-107325019-B Aryl amine benzamide compound and N- aryl-aryl amine benzamide compound preparation method 石河子大学 2019-11-22 CN disclosed
CN-107325019-A The preparation method of aryl amine benzamide compound and N aryl aryl amine benzamide compounds 石河子大学 2017-11-07 CN disclosed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 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 (3 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 CA1 2615/4885CA2 1737/4885PARP10 1967/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA CA1 1145/4885CA2 346/4885PARP10 1284/4885
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof NFKBIA, IKBKB, CHUK CA1 679/4885CA2 680/4885PARP10 2792/4885

“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.