SCHEMBL4847327

SCHEMBL4847327

CC(=O)Nc1c(Cl)cc(N2C(=O)N3CCCC3(Cc3ccc(C#N)cc3)C2=O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 3/20 0.38
METAP2 P50579 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ITGAL P20701 4/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ITGB2 P05107 3/20 0.33
ICAM1 P05362 3/20 0.33
ENPP2 Q13822 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL4848778 0.85 PPIA (0.38) CYP2D6CYP3A4CYP2C9CYP1A2TSHR
SCHEMBL4850402 0.84 HSD11B1 (0.36) CYP2D6CYP3A4METAP2CYP2C9MEN1
SCHEMBL4845276 0.84 ITGAL (0.42) METAP2ITGALTMEM97ITGB2ICAM1
SCHEMBL4850447 0.84 MCHR1 (0.38) CYP2D6CYP3A4CYP2C9MEN1TSHR
SCHEMBL4848463 0.81 HSD11B1 (0.37) CYP2D6CYP3A4METAP2CYP2C9CYP1A2
SCHEMBL14264113 0.80 TSHR (0.37) CYP2D6CYP3A4TSHRALDH1A1ITGAL
SCHEMBL16349444 0.79 ITGAL (0.35) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4847423 0.78 ITGAL (0.38) CYP2D6CYP3A4METAP2CYP2C9CYP1A2
SCHEMBL4841545 0.78 METAP2 (0.43) CYP3A4METAP2MEN1CYP1A2KMT2A
SCHEMBL4848014 0.75 METAP2 (0.36) CYP2D6CYP3A4METAP2CYP2C9MEN1

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-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-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 CYP2D6 4579/4885CYP3A4 4533/4885METAP2 1571/4885

“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.