SCHEMBL4074725

SCHEMBL4074725

Nc1ccc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
EP300 Q09472 1/20 0.52
KAT8 Q9H7Z6 1/20 0.52
LTA4H P09960 1/20 0.50
MAPK14 Q16539 1/20 0.50
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MAOB P27338 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
MAOA P21397 1/20 0.47
APP P05067 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
F2 P00734 2/20 0.45

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
SCHEMBL4087525 0.91 MAPT (0.55) LTA4HMAPK14PLAUPLATMAPT
SCHEMBL29380769 0.88 MAPT (0.57) LTA4HMAPK14PLAUPLATMAPT
SCHEMBL416462 0.88 MAPT (0.57) LTA4HMAPK14PLAUPLATMAPT
SCHEMBL365975 0.86 ABCB1 (0.48) IDO1EP300KAT8LTA4HMAPK14
SCHEMBL11973262 0.80 LTA4H (0.58) IDO1LTA4HMAPK14PLAUPLAT
SCHEMBL6600225 0.80 LTA4H (0.58) IDO1LTA4HMAPK14PLAUPLAT
SCHEMBL3157216 0.79 MRGPRX4 (0.66) IDO1MAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL10607164 0.79 HTR1A (0.58) PLAUPLATMAPTL3MBTL1RAB9A
SCHEMBL1979771 0.79 IDO1 (0.44) IDO1EP300KAT8LTA4HMAPK14
SCHEMBL31086650 0.79 IDO1 (0.44) IDO1EP300KAT8LTA4HMAPK14

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same HUEN CO., LTD. (KR) 2021-02-23 US disclosed
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 US disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF WAYNE STATE UNIVERSITY 2014-08-21 US disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 IDO1 600/4885EP300 1212/4885KAT8 2260/4885
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF MCL1, BCL2L1, BCL2L11 IDO1 2378/4885EP300 3568/4885KAT8 3510/4885
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same UGT1A6, CYP2D6, SLC5A1 IDO1 2412/4885EP300 2951/4885KAT8 3224/4885
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, SLC5A1, CYP2D6 IDO1 2275/4885EP300 3094/4885KAT8 3575/4885

“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.