SCHEMBL2331163

SCHEMBL2331163

COc1ccc2cccc(OCc3ccccc3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CCR6 P51684 1/20 0.51
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR1A P08908 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 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
SCHEMBL9951781 0.89 MEN1 (0.55) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4625554 0.89 MEN1 (0.50) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4625314 0.88 HTR1A (0.51) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4625355 0.84 KDM4E (0.50) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL28284853 0.82 MEN1 (0.59) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL3949886 0.82 MEN1 (0.78) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL31518005 0.80 KCNH2 (0.44) MAPTHTTALDH1A1MAPK1TDP1
SCHEMBL4626663 0.80 HTR1A (0.51) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL9951909 0.79 MEN1 (0.55) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL15648746 0.79 MCHR1 (0.65) MEN1KMT2AKDM4EALDH1A1HPGD

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 58 patents — showing the first 20. 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-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
EP-3406607-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-11-28 EP disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-9765068-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 US disclosed
CN-101035785-A Novel compounds having an anti-bacterial activity MORPHOCHEM AG KOMB CHEMIE (DE) 2007-09-12 CN disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 WO disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (4 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-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 MEN1 1329/4885KMT2A 58/4885MAPT 2923/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA MEN1 1338/4885KMT2A 4743/4885MAPT 4179/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 MEN1 1238/4885KMT2A 35/4885MAPT 2767/4885
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 MEN1 3625/4885KMT2A 1177/4885MAPT 4013/4885

“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.