SCHEMBL13627994

SCHEMBL13627994

Cc1cc(C)c2c(c1)/C(=N/O)C(=O)N2Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK8 P45983 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CXCR5 P32302 1/20 0.31
GPR39 O43194 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL13628002 0.91 TSHR (0.39) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL14269986 0.86 POLB (0.39) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628092 0.86 GALR3 (0.39) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628063 0.83 POLB (0.38) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13627978 0.81 MAPK8 (0.40) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL21067347 0.81 MAPK8 (0.40) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13627961 0.81 MAPK8 (0.40) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628295 0.80 POLB (0.36) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628290 0.79 POLB (0.34) GALR3NR2F2POLBNPC1RAB9A
SCHEMBL13628315 0.79 POLB (0.37) GALR3NR2F2POLBNPC1RAB9A

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 GALR3 3911/4885NR2F2 3108/4885POLB 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.