SCHEMBL3312917

SCHEMBL3312917

Clc1cccc(Cl)c1Oc1ccc2c[c]ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
RARG P13631 1/20 0.31
MAP4K4 O95819 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
SCHEMBL27666038 0.84 ALDH1A1 (0.38) KDM4ECYP1A2CYP2C19NPSR1ALDH1A1
SCHEMBL3314352 0.79 SMN1; SMN2 (0.42) KDM4ELMNAALDH1A1
SCHEMBL3317518 0.77 HTT (0.45) KDM4ENPSR1ALDH1A1HTTMAP4K4
SCHEMBL4655065 0.76 HTT (0.45) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL4655551 0.73 ABL1 (0.39) KDM4E
SCHEMBL3318792 0.73 CAMK2A (0.42) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL194114 0.72 MTNR1A (0.34) KDM4ECYP1A2ALDH1A1
SCHEMBL3316531 0.72 ALDH1A1 (0.40) KDM4ELMNANPSR1ALDH1A1HTT
SCHEMBL13583086 0.71 MEN1 (0.34) NPSR1ALDH1A1HTTMAP4K4
SCHEMBL2902917 0.69 RARG (0.35) KDM4ELMNACYP1A2CYP2C19NPSR1

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 KDM4E 2440/4885LMNA 803/4885CYP1A2 745/4885
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 KDM4E 1665/4885LMNA 102/4885CYP1A2 343/4885

“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.