SCHEMBL3313885

SCHEMBL3313885

CCCNc1c(NC(CC(=O)OC)c2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)c(=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.39
ITGAV P06756 1/20 0.39
ITGA4 P13612 5/20 0.39
ABL1 P00519 1/20 0.36
TNF P01375 2/20 0.34
TACR3 P29371 1/20 0.33
HDAC1 Q13547 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CXCR2 P25025 2/20 0.31
WDR5 P61964 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3313882 0.80 ITGB1 (0.53) ITGB1ITGAVITGA4ABL1TACR3
SCHEMBL3314235 0.78 ITGB1 (0.61) ITGB1ITGAVITGA4
SCHEMBL14339163 0.70 ITGB1 (0.58) ITGB1ITGAVITGA4ABL1TNF
SCHEMBL8349096 0.68 ITGB1 (0.54) ITGB1ITGAVABL1MAPT
SCHEMBL3317945 0.67 ITGB1 (0.53) ITGB1ITGAVABL1
SCHEMBL3315023 0.64 ITGB1 (0.53) ITGB1ITGAVITGA4ABL1TACR3
SCHEMBL3321001 0.64 ITGB1 (0.60) ITGB1ITGAVITGA4ABL1TACR3
SCHEMBL4750012 0.64 ITGB1 (0.49) ITGB1ITGAVABL1
SCHEMBL4626500 0.64 ITGB1 (0.49) ITGB1ITGAVABL1
SCHEMBL3313415 0.63 ITGB1 (0.59) ITGB1ITGAVITGA4ABL1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 65/4885ITGA4 10/4885

“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.