SCHEMBL5786191

SCHEMBL5786191

O=C(O)c1ccc(NC2=NCCO2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.43
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 1/20 0.41
ACLY P53396 1/20 0.39
XDH P47989 3/20 0.39
SLC22A12 Q96S37 3/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
MAP4K1 Q92918 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMO O15229 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5788194 0.73 HPGD (0.63) TSHRSMN1; SMN2CASP1NPC1RAB9A
SCHEMBL1852745 0.69 CFB (0.49) CFBTSHRPOLBTDP1ALDH1A1
SCHEMBL5777560 0.68 MAPT (0.73) TSHRSMN1; SMN2CASP1ACLYMAPK13
SCHEMBL2345038 0.68 SMN1; SMN2 (0.57) TSHRSMN1; SMN2CASP1ACLYMAPK13
Hydrochloric Acid SCHEMBL2554663 0.66 MAPT (0.71) TSHRSMN1; SMN2CASP1ACLYMAPK13
SCHEMBL2930125 0.66 CDK2 (0.55) TSHRSMN1; SMN2CASP1ACLYXDH
SCHEMBL1304698 0.65 RORC (0.54) TSHRSMN1; SMN2CASP1NPC1RAB9A
SCHEMBL16539941 0.65 SMN1; SMN2 (0.49) TSHRSMN1; SMN2CASP1ACLYXDH
SCHEMBL5786194 0.65 TSHR (0.41) TSHRSMN1; SMN2CASP1ACLYNPC1
SCHEMBL27509293 0.65 MAPK14 (0.75) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 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 (1 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 CFB 1183/4885TSHR 2994/4885SMN1; SMN2 3671/4885

“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.