SCHEMBL1028112

SCHEMBL1028112

C[C@@](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)(NC(=O)c1c(Cl)cncc1Cl)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.55
ITGAV P06756 2/20 0.55
ITGA4 P13612 12/20 0.40
ITGB7 P26010 3/20 0.40
ABL1 P00519 1/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3319930 0.94 ITGB1 (0.61) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL3313216 0.86 ITGB1 (0.50) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL4624872 0.85 ITGB1 (0.51) ITGB1ITGAVITGA4ITGB7LMNA
SCHEMBL4625170 0.83 ITGB1 (0.47) ITGB1ITGAVABL1KDM4EALDH1A1
SCHEMBL4625490 0.83 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL1030228 0.83 ITGB1 (0.49) ITGB1ITGAVABL1KDM4EALDH1A1
SCHEMBL3314608 0.81 ITGB1 (0.46) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL4750015 0.78 ITGB1 (0.53) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL4626504 0.78 ITGB1 (0.53) ITGB1ITGAVITGA4ITGB7ABL1
SCHEMBL6142440 0.78 ITGB1 (0.42) ITGB1ITGAVITGA4ITGB7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902045-B1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA SA (BE) 2011-01-19 EP claimed
US-7732614-B2 2,6-quinolinyl derivatives, processes for preparing them and their uses UCB S.A. (BE) 2010-06-08 US claimed
EP-1902045-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB Pharma, S.A. (BE) 2008-03-26 EP claimed
US-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2007-01-04 US claimed
WO-2006131200-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA, S.A. (BE) 2006-12-14 WO claimed
EP-1902045-B1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA SA (BE) 2011-01-19 EP disclosed
US-7732614-B2 2,6-quinolinyl derivatives, processes for preparing them and their uses UCB S.A. (BE) 2010-06-08 US disclosed
EP-1902045-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB Pharma, S.A. (BE) 2008-03-26 EP disclosed
US-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses UCB PHARMA S.A. (BE) 2007-01-04 US disclosed
WO-2006131200-A1 2,6 QUINOLINYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENT UCB PHARMA, S.A. (BE) 2006-12-14 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-20070004775-A1 2,6-Quinolinyl derivatives, processes for preparing them and their uses CYP2D6, UGT1A6, CYP3A4 ITGB1 4685/4885ITGAV 3968/4885ITGA4 3846/4885

“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.