SCHEMBL2437377

SCHEMBL2437377

Cc1ccc(NOC(C)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
NLRP1 Q9C000 1/20 0.40
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
MMP8 P22894 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2437369 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KMT2ANLRP1
SCHEMBL812821 0.82 TDP1 (0.40) SMN1; SMN2MAPTALDH1A1NPC1TDP1
SCHEMBL809522 0.82 TDP1 (0.40) SMN1; SMN2MAPTALDH1A1NPC1TDP1
SCHEMBL7019275 0.69 MAPT (0.46) MAPTALDH1A1KMT2ANLRP1MEN1
SCHEMBL21256944 0.69 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1KMT2ANLRP1
SCHEMBL13724343 0.69 TDP1 (0.46) SMN1; SMN2MAPTALDH1A1KMT2APOLB
P-Xylene SCHEMBL27676531 0.69 TSHR (0.56) SMN1; SMN2ALDH1A1TDP1CA1HPGD
SCHEMBL28630486 0.68 MAPT (0.41) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL1954187 0.68 KMT2A (0.46) MAPTALDH1A1KMT2APOLBNPC1
SCHEMBL29833605 0.67 CA12 (0.48) SMN1; SMN2MAPTALDH1A1KMT2APOLB

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-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 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-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 SMN1; SMN2 3564/4885MAPT 4747/4885ALDH1A1 354/4885
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 SMN1; SMN2 3564/4885MAPT 4747/4885ALDH1A1 354/4885

“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.