SCHEMBL1338547

SCHEMBL1338547

Cc1cccc(C2=NCC(C)O2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.50
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ENPP3 O14638 1/20 0.36
NOTUM Q6P988 1/20 0.36
ATM Q13315 1/20 0.36
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL2782902 0.90 ALDH1A1 (0.42) NISCHNPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL1338840 0.80 ALDH1A1 (0.47) NISCHHPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL10520201 0.78 NPC1 (0.37) NPC1SMN1; SMN2ALDH1A1ATM
SCHEMBL2783537 0.78 ALDH1A1 (0.43) NISCHHPGDSMN1; SMN2ALDH1A1ATM
SCHEMBL4465857 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1ATM
SCHEMBL31470934 0.75 MAOB (0.44) NISCHCHRNB4CHRNA3RAB9ANPC1
SCHEMBL31470935 0.75 MAOB (0.44) NISCHCHRNB4CHRNA3RAB9ANPC1
SCHEMBL8044042 0.75 NISCH (0.46) NISCHCHRNB4CHRNA3RAB9ANPC1
SCHEMBL9434758 0.74 DAPK3 (0.36) HPGDTSHRALDH1A1ATM
SCHEMBL10521596 0.73 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1POLB

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 NISCH 1334/4885CHRNB4 1955/4885CHRNA3 795/4885

“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.