SCHEMBL3314513

SCHEMBL3314513

COc1ccc2cc(OCc3ccccc3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP3A4 P08684 3/20 0.54
MAOB P27338 1/20 0.53
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSP90AA1 P07900 1/20 0.50
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PABPC1 P11940 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
FLT3 P36888 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46

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
SCHEMBL3318154 0.87 PDGFRB (0.52) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL3316417 0.86 ALOX5 (0.59) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL3316285 0.85 PDGFRB (0.50) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL21864807 0.85 ALOX5 (0.55) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL21864952 0.82 ALOX5 (0.68) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL21865478 0.82 ALOX5 (0.55) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL3311744 0.81 ALOX5 (0.54) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL21865063 0.79 ALOX5 (0.63) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL1550777 0.79 ALOX5 (0.63) ALOX5NPC1RAB9ACYP3A4MAOB
SCHEMBL19101905 0.79 ALOX5 (0.63) ALOX5NPC1RAB9ACYP3A4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 US claimed
CN-101200450-A 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as vla-4 inhibitors UCB PHARMA SA (BE) 2008-06-18 CN claimed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 US claimed
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
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 EP claimed
CN-1649842-A 2, 6-quinolyl and 2, 6-naphthyl derivatives, processes for their preparation and their use as VLA-4 inhibitors UCB SA (BE) 2005-08-03 CN claimed
EP-1501801-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2005-02-02 EP claimed
WO-2003093237-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2003-11-13 WO claimed
WO-2020063854-A1 QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS 南京明德新药研发有限公司 2020-04-02 WO disclosed
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
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 US disclosed
CN-101200450-A 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as vla-4 inhibitors UCB PHARMA SA (BE) 2008-06-18 CN disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 US disclosed
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 disclosed
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 EP disclosed
CN-1649842-A 2, 6-quinolyl and 2, 6-naphthyl derivatives, processes for their preparation and their use as VLA-4 inhibitors UCB SA (BE) 2005-08-03 CN disclosed
EP-1501801-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2005-02-02 EP disclosed
WO-2003093237-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2003-11-13 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 (2 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H ALOX5 205/4885NPC1 247/4885RAB9A 1150/4885
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 ALOX5 1491/4885NPC1 302/4885RAB9A 668/4885

“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.