SCHEMBL4850447

SCHEMBL4850447

COc1c(Cl)cc(N2C(=O)N3CCCC3(Cc3ccc(C#N)cc3)C2=O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.38
CYP3A4 P08684 5/20 0.36
USP2 O75604 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HSD11B1 P28845 1/20 0.35
TSHR P16473 2/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4843339 0.87 ITGAL (0.43) ITGB2ICAM1ITGAL
SCHEMBL14264022 0.87 ITGAL (0.43) ITGB2ICAM1ITGAL
SCHEMBL4850402 0.87 HSD11B1 (0.36) MCHR1CYP3A4USP2CYP2C9CYP2C19
SCHEMBL4845276 0.87 ITGAL (0.42) HSD11B1ITGB2ICAM1ITGALELANE
SCHEMBL4848463 0.84 HSD11B1 (0.37) MCHR1CYP3A4USP2CYP2C9CYP2C19
SCHEMBL4847327 0.84 CYP2D6 (0.38) CYP3A4USP2CYP2C9CYP2C19CYP2D6
SCHEMBL14264113 0.82 TSHR (0.37) MCHR1CYP3A4CYP2D6HSD11B1TSHR
SCHEMBL16349444 0.82 ITGAL (0.35) MCHR1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4847423 0.81 ITGAL (0.38) MCHR1CYP3A4USP2CYP2C9CYP2C19
SCHEMBL4848778 0.78 PPIA (0.38) CYP3A4USP2CYP2C9CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 MCHR1 4626/4885CYP3A4 4533/4885USP2 2955/4885

“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.