SCHEMBL9944263

SCHEMBL9944263

C/C(=N\OCc1ccccc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 2/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL12057080 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9944335 0.84 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9944265 0.84 ALDH1A1 (0.42) NPC1RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL678711 0.80 MAPT (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2047154 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2047156 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2050800 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3832060 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14257301 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2042653 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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
US-8772290-B2 Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same Oscotech Inc. (KR) 2014-07-08 US disclosed
US-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME OSCOTEC INC. (KR) 2012-06-14 US disclosed
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 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-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HIF1A, HIF1AN, EGLN3 NPC1 3736/4885RAB9A 3845/4885SMN1; SMN2 3764/4885
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 NPC1 1457/4885RAB9A 1774/4885SMN1; SMN2 4466/4885

“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.