SCHEMBL13628329

SCHEMBL13628329

O=C(c1ccc2c(c1)/C(=N\O)C(=O)N2Cc1cc(F)cc2c1OCOC2)c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK8 P45983 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
UCHL3 P15374 1/20 0.34
CXCR5 P32302 1/20 0.34
UCHL1 P09936 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL13628327 0.94 NPC1 (0.35) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13910954 0.90 NPC1 (0.36) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628385 0.90 ALDH1A1 (0.36) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL13628215 0.90 NPC1 (0.36) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628248 0.90 NPC1 (0.38) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628284 0.89 MAPK8 (0.38) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628271 0.87 MAPK8 (0.36) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628315 0.87 POLB (0.37) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL14269960 0.85 UCHL3 (0.43) NPC1RAB9APOLBNPSR1MAPK8
SCHEMBL13628319 0.85 HPGD (0.40) NPC1RAB9APOLBNPSR1MAPK8

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 NPC1 1715/4885RAB9A 3486/4885POLB 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.