SCHEMBL873535

SCHEMBL873535

Nc1ccc(SC2CCOC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
KMT2A Q03164 3/20 0.44
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 3/20 0.43
POLB P06746 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.39

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
SCHEMBL877603 0.83 POLB (0.53) DDB1CRBNKMT2AALDH1A1MAPK1
SCHEMBL4491902 0.83 KMT2A (0.44) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL4501819 0.83 KMT2A (0.44) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL875841 0.83 MAPK1 (0.58) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL15746491 0.83 DDB1 (0.51) DDB1CRBNKMT2AALDH1A1MAPK1
SCHEMBL7981025 0.82 MAPK1 (0.56) DDB1CRBNKMT2AALDH1A1MAPK1
SCHEMBL15933035 0.81 ALDH1A1 (0.44) CRBNKMT2AALDH1A1MAPK1POLB
SCHEMBL31708217 0.80 HSD17B10 (0.44) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL5569137 0.79 KMT2A (0.42) KMT2AALDH1A1MAPK1POLBHSD17B10
SCHEMBL872472 0.79 DDB1 (0.55) DDB1CRBNKMT2AALDH1A1MAPK1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850234-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-12-26 US disclosed
US-9850234-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-12-26 US disclosed
US-9850234-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-12-26 US disclosed
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS REDX PHARMA PLC (GB) 2017-08-31 US disclosed
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS REDX PHARMA PLC (GB) 2017-08-31 US disclosed
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS REDX PHARMA PLC (GB) 2017-08-31 US disclosed
US-9682963-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-06-20 US disclosed
US-9682963-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-06-20 US disclosed
US-9682963-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-06-20 US disclosed
EP-2951172-B1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS AMAKEM NV (BE) 2017-03-29 EP disclosed
WO-2014118133-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS AMAKEM NV (BE) 2014-08-07 WO disclosed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
CN-103228634-A Matrix metalloproteinase inhibitors RANBAXY LAB LTD 2013-07-31 CN disclosed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS ROCK1, ROCK2, RHOT2 DDB1 3675/4885CRBN 2515/4885KMT2A 1347/4885
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 DDB1 4179/4885CRBN 4566/4885KMT2A 3501/4885

“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.