SCHEMBL1338552

SCHEMBL1338552

Cc1cccc(C2=N[C@H](c3ccccc3)CO2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
TAAR1 Q96RJ0 3/20 0.47
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.41
INPP5D Q92835 1/20 0.39

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
SCHEMBL14352146 0.89 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1298504 0.89 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2783251 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13495018 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29938562 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1149438 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9614459 0.82 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8304084 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8308063 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8307478 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO NPC1 4531/4885RAB9A 3802/4885SMN1; SMN2 3368/4885

“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.