SCHEMBL2437286

SCHEMBL2437286

Cc1ccc2c(n1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.40
RAB9A P51151 6/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 4/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
HPGD P15428 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL18454605 0.83 KDM4E (0.38) RAB9AGAANPC1ALDH1A1SMN1; SMN2
SCHEMBL14358232 0.74 MAPT (0.39) MBOAT4RAB9AGAAHTTNPC1
SCHEMBL19837330 0.74 ITGB2 (0.37) MBOAT4RAB9AGAAHTTNPC1
SCHEMBL31168492 0.74 MBOAT4 (0.40) MBOAT4RAB9AGAAHTTNPC1
SCHEMBL19844887 0.74 ITGB2 (0.37) MBOAT4RAB9AHTTNPC1PKM
SCHEMBL24156942 0.74 ITGB2 (0.37) MBOAT4RAB9AGAAHTTNPC1
SCHEMBL2295626 0.74 MBOAT4 (0.40) MBOAT4RAB9AGAAHTTNPC1
SCHEMBL12299456 0.74 MBOAT4 (0.37) MBOAT4RAB9ANPC1PKMALDH1A1
SCHEMBL12329716 0.74 MBOAT4 (0.46) MBOAT4RAB9AGAANPC1PKM
SCHEMBL23554439 0.74 CYP3A4 (0.36) MBOAT4RAB9ANPC1ALDH1A1SMN1; SMN2

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-11485725-B2 Derivatives of piperlongumine and uses thereof AURANSA INC. (US) 2022-11-01 US disclosed
WO-2021259208-A1 TYK-2 INHIBITOR BEIGENE, LTD. (KY) 2021-12-30 WO disclosed
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1549156-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT Investigacion Y Nutricion, S.L. (ES) 2005-07-06 EP disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 WO disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 WO disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 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 (9 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 MBOAT4 4622/4885RAB9A 3249/4885GAA 3702/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 MBOAT4 4486/4885RAB9A 1527/4885GAA 4116/4885
US-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN MBOAT4 995/4885RAB9A 2809/4885GAA 15/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN MBOAT4 995/4885RAB9A 2809/4885GAA 15/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 MBOAT4 4739/4885RAB9A 1941/4885GAA 3618/4885
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS MBOAT4 4692/4885RAB9A 903/4885GAA 2285/4885
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity QARS1, NQO2, AAAS MBOAT4 4213/4885RAB9A 1826/4885GAA 1491/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS MBOAT4 4732/4885RAB9A 1731/4885GAA 3848/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 MBOAT4 4486/4885RAB9A 1527/4885GAA 4116/4885

“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.