SCHEMBL5783409

SCHEMBL5783409

COC(=O)c1ccc(N2CCCC2=O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
F10 P00742 1/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 2/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44

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
SCHEMBL1016659 0.83 ALDH1A1 (0.60) ATMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5058937 0.83 ALDH1A1 (0.53) ATMMAPTMEN1KMT2AGAA
SCHEMBL266964 0.83 MAPT (0.49) ATMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8140920 0.82 SMN1; SMN2 (0.48) ATMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8144130 0.81 ATM (0.52) ATMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31444467 0.81 HPGD (0.49) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5853508 0.79 GAA (0.57) ATMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24586254 0.78 ATM (0.48) ATMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL267896 0.78 SIRT6 (0.62) ATMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL70006 0.77 ALDH1A1 (0.69) ATMMAPTSMN1; SMN2ALDH1A1HPGD

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 6 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
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 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 (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 ATM 4562/4885MAPT 4289/4885SMN1; 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.