SCHEMBL3574293

SCHEMBL3574293

NC(=O)c1nn(-c2cccc(Cl)c2)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.58
PARP2 Q9UGN5 3/20 0.58
PARP3 Q9Y6F1 3/20 0.58
GAA P10253 2/20 0.52
POLB P06746 1/20 0.48
IKBKB O14920 1/20 0.44
NOTUM Q6P988 2/20 0.43
PKM P14618 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL6467427 0.84 SMN1; SMN2 (0.52) PARP1PARP2PARP3GAAPOLB
SCHEMBL6505228 0.83 KDM4E (0.55) PARP1PARP2PARP3GAAIKBKB
SCHEMBL3568441 0.83 ALDH1A1 (0.54) PARP1PARP2PARP3GAAPOLB
SCHEMBL12800605 0.82 RAB9A (0.55) PARP1GAAIKBKBNOTUMKDM4E
SCHEMBL3574295 0.80 PARP1 (0.50) PARP1PARP2PARP3GAAPOLB
SCHEMBL21071035 0.79 TP53 (0.57) GAAPOLBALDH1A1HPGDNPC1
SCHEMBL31664230 0.79 TP53 (0.57) GAAPOLBALDH1A1HPGDNPC1
SCHEMBL12800042 0.77 IRAK4 (0.50) GAAPOLBIKBKBCCNA2CDK2
SCHEMBL13811464 0.77 PARP1 (0.48) PARP1PARP2PARP3GAAPOLB
SCHEMBL27676613 0.76 PARP1 (0.48) PARP1PARP2PARP3GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US claimed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP claimed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO claimed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 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 (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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 PARP1 1015/4885PARP2 1387/4885PARP3 2206/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 PARP1 1054/4885PARP2 1095/4885PARP3 945/4885

“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.