SCHEMBL419541

SCHEMBL419541

Cc1nnc(-c2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.51
GUSB P08236 1/20 0.43
NPBWR1 P48145 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CXCR2 P25025 3/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL416830 0.78 MGAM (0.49) HSD11B1GUSBNPBWR1ALDH1A1CXCR2
SCHEMBL29098442 0.76 GUSB (0.51) HSD11B1GUSBNPBWR1MAPTCXCR2
SCHEMBL415765 0.73 MAPK1 (0.47) GUSBALDH1A1MAPTPOLBKMT2A
SCHEMBL31346722 0.72 NPY5R (0.55) HSD11B1GUSBNPBWR1CXCR2KMT2A
SCHEMBL416660 0.71 GAA (0.53) NPBWR1ALDH1A1POLBGAAKDM4E
SCHEMBL2951516 0.70 NPY5R (0.52) HSD11B1GUSBALDH1A1MAPTCXCR2
SCHEMBL31305519 0.70 NPY5R (0.52) HSD11B1GUSBALDH1A1MAPTCXCR2
SCHEMBL26107662 0.69 NPY5R (0.46) HSD11B1GUSBNPBWR1HSP90AA1HSP90AB1
SCHEMBL705941 0.69 HSD11B1 (0.44) HSD11B1GUSBNPBWR1ALDH1A1MAPT
SCHEMBL802336 0.69 GUSB (0.58) HSD11B1GUSBNPBWR1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HSD11B1 4167/4885GUSB 4163/4885NPBWR1 994/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HSD11B1 4167/4885GUSB 4163/4885NPBWR1 994/4885

“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.