SCHEMBL13627958

SCHEMBL13627958

COc1cc(CN2C(=O)/C(=N\O)c3ccccc32)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 5/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
ACE P12821 1/20 0.49
LRRK2 Q5S007 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH3A1 P30838 2/20 0.44
APP P05067 2/20 0.44
SNCA P37840 2/20 0.44
CASP3 P42574 1/20 0.43
BRD4 O60885 1/20 0.43
ALDH2 P05091 1/20 0.43
CHRM1 P11229 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PARK7 Q99497 1/20 0.42

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
SCHEMBL13627950 0.89 MAPT (0.59) ALDH1A1MAPTPOLBLMNAACE
SCHEMBL13628069 0.88 CHRM5 (0.47) ALDH1A1MAPTPOLBLMNAACE
SCHEMBL13628060 0.85 MAPT (0.45) ALDH1A1MAPTPOLBLMNAACE
SCHEMBL13628137 0.85 BRD4 (0.45) ALDH1A1MAPTPOLBLMNAACE
SCHEMBL13627966 0.84 UCHL3 (0.52) ALDH1A1MAPTLMNAALDH3A1ALDH2
SCHEMBL13627977 0.84 TRPA1 (0.43) ALDH1A1ACEALDH3A1PARK7CHRM5
SCHEMBL13628067 0.84 UCHL1 (0.44) ALDH1A1MAPTPOLBLMNAACE
SCHEMBL13628089 0.82 CHRM5 (0.45) ALDH1A1MAPTALDH3A1ALDH2SMN1; SMN2
SCHEMBL7611051 0.81 ALDH1A1 (0.66) ALDH1A1MAPTPOLBLMNALRRK2
SCHEMBL7611054 0.81 ALDH1A1 (0.66) ALDH1A1MAPTPOLBLMNALRRK2

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-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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 (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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 ALDH1A1 4310/4885MAPT 1666/4885POLB 2623/4885

“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.