SCHEMBL3317518

SCHEMBL3317518

Clc1ccc(Oc2ccc3c[c]ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HAO1 Q9UJM8 2/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SCN9A Q15858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
LTA4H P09960 1/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
MAP4K4 O95819 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIM1 P11309 1/20 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
SCHEMBL4655065 0.84 HTT (0.45) HTTL3MBTL1MEN1KMT2AHAO1
SCHEMBL13583086 0.84 MEN1 (0.34) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3312917 0.77 KDM4E (0.33) HTTALDH1A1KDM4EMAP4K4NPSR1
SCHEMBL27666038 0.74 ALDH1A1 (0.38) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL3720570 0.74 ACHE (0.33) ALDH1A1KDM4ESCN9AMAPK1
SCHEMBL194114 0.73 MTNR1A (0.34) KMT2AALDH1A1HPGDKDM4E
SCHEMBL12386847 0.72 MEN1 (0.49) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3317035 0.72 HTT (0.45) HTTL3MBTL1MEN1KMT2AHAO1
SCHEMBL12419239 0.72 HTT (0.42) HTTL3MBTL1MEN1KMT2AHAO1
SCHEMBL8560759 0.70 HTT (0.43) HTTL3MBTL1MEN1KMT2AALDH1A1

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 4 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
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
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

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 HTT 2971/4885L3MBTL1 4844/4885MEN1 2106/4885
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 HTT 3690/4885L3MBTL1 4720/4885MEN1 2979/4885

“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.