SCHEMBL4625568

SCHEMBL4625568

O=C(O)C(O)Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.68
ITGAV P06756 1/20 0.68
ABL1 P00519 1/20 0.43
KDM6B O15054 1/20 0.43
ITGA4 P13612 3/20 0.42
ITGB7 P26010 3/20 0.42
FFAR1 O14842 1/20 0.36
MME P08473 3/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ACE P12821 2/20 0.34
PTPRA P18433 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL3314275 0.87 ITGB1 (0.67) ITGB1ITGAVABL1KCNH2CYP1A2
SCHEMBL3318103 0.87 ITGB1 (0.67) ITGB1ITGAVABL1KCNH2CYP1A2
SCHEMBL3321001 0.86 ITGB1 (0.60) ITGB1ITGAVABL1ITGA4ITGB7
SCHEMBL4626503 0.84 ITGB1 (0.76) ITGB1ITGAVABL1ITGA4ITGB7
SCHEMBL3315574 0.82 ITGB1 (0.61) ITGB1ITGAVABL1ITGA4ITGB7
SCHEMBL4626491 0.82 ITGB1 (0.73) ITGB1ITGAVABL1ITGA4ITGB7
SCHEMBL3316398 0.81 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7
SCHEMBL8352229 0.81 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7
SCHEMBL3319491 0.81 ITGB1 (0.66) ITGB1ITGAVABL1ITGA4ITGB7
SCHEMBL6142370 0.81 ITGB1 (0.66) ITGB1ITGAVABL1ITGA4ITGB7

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
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 EP claimed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 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-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B ITGB1 274/4885ITGAV 65/4885ABL1 81/4885

“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.