SCHEMBL13628295

SCHEMBL13628295

Cc1ccc(-c2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPK8 P45983 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 2/20 0.32
CHRM5 P08912 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CXCR5 P32302 1/20 0.31

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
SCHEMBL13628065 0.93 NPC1 (0.37) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628063 0.93 POLB (0.38) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628290 0.92 POLB (0.34) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13910801 0.91 POLB (0.36) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628289 0.91 ALDH1A1 (0.37) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628288 0.91 TSHR (0.36) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628296 0.91 POLB (0.34) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628264 0.90 POLB (0.36) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628070 0.90 NPC1 (0.36) POLBNPC1RAB9ANPSR1GALR3
SCHEMBL13628292 0.89 TSHR (0.43) POLBNPC1RAB9ANPSR1GALR3

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 POLB 2623/4885NPC1 1715/4885RAB9A 3486/4885

“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.