SCHEMBL4078645

SCHEMBL4078645

Nc1c(OCc2ccccc2)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALOX5 P09917 1/20 0.47
NCEH1 Q6PIU2 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 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
SCHEMBL8859833 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL27361281 0.79 CNR1 (0.41) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL27512292 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL30822036 0.79 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL29860529 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL2386082 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL19608995 0.79 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL5654886 0.79 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL1807920 0.79 NCEH1 (0.53) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL29568609 0.78 MRGPRX4 (0.67) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 NPC1 869/4885RAB9A 4183/4885SMN1; SMN2 1792/4885

“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.