SCHEMBL7259042

SCHEMBL7259042

Cc1cc2ccncc2c(Oc2ccc(CC(Nc3c(N4CCCCCC4)c(=O)c3=O)C(=O)OCc3ccccc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.43
ITGA4 P13612 8/20 0.43
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 1/20 0.34
ELANE P08246 1/20 0.33
TACR1 P25103 1/20 0.33
UGCG Q16739 1/20 0.32
PTGS2 P35354 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
YAP1 P46937 2/20 0.32

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
SCHEMBL7259037 1.00 ITGB1 (0.43) ITGB1ITGA4ITGB3ITGA2BMAPT
SCHEMBL7259859 0.91 ITGB1 (0.53) ITGB1ITGA4PPARG
SCHEMBL7259852 0.91 ITGB1 (0.53) ITGB1ITGA4PPARG
SCHEMBL7260694 0.83 ITGB1 (0.51) ITGB1ITGA4PPARG
SCHEMBL7260697 0.83 ITGB1 (0.51) ITGB1ITGA4PPARG
SCHEMBL7259075 0.81 ITGB1 (0.51) ITGB1ITGA4PPARG
SCHEMBL7259079 0.81 ITGB1 (0.51) ITGB1ITGA4PPARG
SCHEMBL7259044 0.81 HPGD (0.34) ITGB1ITGA4MAPTPPARG
SCHEMBL7264068 0.80 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7264056 0.80 ITGB1 (0.55) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 US disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 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-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL ITGB1 35/4885ITGA4 267/4885ITGB3 91/4885

“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.