SCHEMBL418276

SCHEMBL418276

Cc1nnc(-c2ccc(Cl)c(Cl)c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
AHR P35869 3/20 0.46
IKBKB O14920 2/20 0.42
TYMP P19971 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NOTUM Q6P988 1/20 0.41
NPY5R Q15761 1/20 0.41
HSD11B1 P28845 1/20 0.41
KMO O15229 1/20 0.40
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CXCR2 P25025 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4412012 0.84 MEN1 (0.39) HRH1IKBKBALDH1A1MAPTLMNA
SCHEMBL2287210 0.81 KMO (0.56) HRH1NPY5RKMO
SCHEMBL4412067 0.79 MAPT (0.50) ALDH1A1MAPTL3MBTL1
SCHEMBL415765 0.79 MAPK1 (0.47) NPY5RMAPK13MAPK12MAPK11MAPK14
SCHEMBL22816480 0.78 HRH1 (0.49) HRH1AHRTYMPCYP1B1NOTUM
SCHEMBL416660 0.76 GAA (0.53) HRH1TYMPNPY5RMAPK13RAF1
SCHEMBL419320 0.76 RAB9A (0.44) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL417139 0.74 NISCH (0.45) TYMPMAPK13MAPK12MAPK11MAPK14
SCHEMBL7953001 0.74 HRH1 (0.49) HRH1AHRNOTUMNPY5RKMO
SCHEMBL15134178 0.73 NPC1 (0.47) NOTUMNPY5RALDH1A1KDM4ENPC1

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 HRH1 1361/4885AHR 4439/4885IKBKB 1299/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HRH1 1361/4885AHR 4439/4885IKBKB 1299/4885

“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.