Sugi Predict

Sugi Predict / Compounds / SCHEMBL3314352

SCHEMBL3314352

SCHEMBL3314352

COc1cccc(OC)c1Oc1ccc2c[c]ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NQO2 P16083 3/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ G6PD P11413 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ DCPS Q96C86 1/20 0.31

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
SCHEMBL3316531 0.87 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1KDM4EHPGD
SCHEMBL194114 0.80 MTNR1A (0.34) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL3312917 0.79 KDM4E (0.33) ALDH1A1KDM4ELMNA
SCHEMBL27666038 0.76 ALDH1A1 (0.38) SMN1; SMN2TSHRALDH1A1KDM4EHPGD
SCHEMBL3315093 0.74 TSHR (0.42) SMN1; SMN2TSHRALDH1A1KDM4EHPGD
SCHEMBL4655065 0.74 HTT (0.45) TSHRALDH1A1KDM4EHPGDNPC1
SCHEMBL2752366 0.73 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1KDM4ENPC1
SCHEMBL27666162 0.72 CNR2 (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDNQO2
SCHEMBL2750651 0.71 SMN1; SMN2 (0.50) SMN1; SMN2TSHRALDH1A1KDM4EHPGD
SCHEMBL27243819 0.69 SRC (0.34) ALDH1A1NPC1RAB9AMEN1KMT2A

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 SMN1; SMN2 4507/4885TSHR 3741/4885ALDH1A1 2945/4885
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 SMN1; SMN2 3831/4885TSHR 4180/4885ALDH1A1 1048/4885

“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.