SCHEMBL4847341

SCHEMBL4847341

O=C1N(c2cc(Cl)nc(Cl)c2)C(=O)C2(Cc3ccc(OCCc4ccncc4)cc3)CCCN12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
LARS1 Q9P2J5 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRM4 Q14833 1/20 0.31
F10 P00742 2/20 0.31
THRB P10828 1/20 0.31
ACACB O00763 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4841610 0.83 P2RX3 (0.36) LMNAMAPTTHRBALDH1A1
SCHEMBL4845339 0.81 P2RX3 (0.36) LMNAMAPTTHRBKDM4E
SCHEMBL4845635 0.80 ITGB2 (0.33)
SCHEMBL4839852 0.80 ITGAL (0.44)
SCHEMBL4848463 0.80 HSD11B1 (0.37) MCHR1CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL4839726 0.74 P2RX3 (0.35) LMNAMAPTGRM4ALDH1A1
SCHEMBL16349444 0.74 ITGAL (0.35) LMNAMCHR1CYP3A4CYP2D6CYP2C9
SCHEMBL4841565 0.72 ITGAL (0.41)
SCHEMBL4841669 0.72 ITGB2 (0.32)
SCHEMBL4847608 0.72 ITGAL (0.41)

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 5 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
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP 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 LTA4H 159/4885LARS1 3510/4885SLC6A2 594/4885

“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.