SCHEMBL5728945

SCHEMBL5728945

CCOc1cc[c]c(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.35
NQO1 P15559 1/20 0.34
RORC P51449 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL25182581 0.85 CSNK2A1 (0.40) L3MBTL1ALDH1A1MAPTPOLBKDM4E
SCHEMBL3279020 0.83 CYP1A2 (0.41) L3MBTL1ALDH1A1MAPTHSD17B10RAB9A
SCHEMBL11779722 0.82 ALDH1A1 (0.34) L3MBTL1ALDH1A1MAPTHPGDPOLB
SCHEMBL10526679 0.82 THRB (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11824469 0.82
SCHEMBL15056059 0.79 L3MBTL1 (0.36) L3MBTL1ALDH1A1MAPTHPGDPOLB
SCHEMBL6497481 0.78 MAPK1 (0.35) L3MBTL1ALDH1A1MAPTHPGDKDM4E
SCHEMBL2350414 0.77 CA12 (0.35) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL1069301 0.76 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTHPGDPOLB
SCHEMBL6506569 0.76 RIPK1 (0.38) HPGD

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-20140073801-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SUMMIT CORPORATION PLC (GB) 2014-03-13 US claimed
EP-2681190-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Summit Corporation Plc (GB) 2014-01-08 EP claimed
WO-2012117219-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SUMMIT CORPORATION PLC (GB) 2012-09-07 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-05-18 US disclosed
WO-2023043803-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-03-23 WO disclosed
EP-1218381-B1 AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES NEUROGEN CORP (US) 2006-12-06 EP disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-6476038-B1 Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines NEUROGEN CORPORATION 2002-11-05 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-20140073801-A1 PYRROLIDINE DERIVATIVES AS SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF OGA, GAA, GBA3 L3MBTL1 4045/4885ALDH1A1 958/4885MAPT 45/4885
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING FABP5, FABP1, FABP4 L3MBTL1 4284/4885ALDH1A1 521/4885MAPT 3579/4885

“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.