SCHEMBL13628194

SCHEMBL13628194

COC(=O)c1cccc2c1/C(=N/O)C(=O)N2Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
PTK2B Q14289 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
MAPK8 P45983 1/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
CXCR5 P32302 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36

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
SCHEMBL13628191 0.90 NPC1 (0.39) TSHRNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL13628244 0.86 NPC1 (0.38) TSHRMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL13628282 0.85 NPC1 (0.36) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL13628138 0.84 HCRTR1 (0.36) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL13628220 0.84 MAPK8 (0.37) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL13628298 0.83 RAB9A (0.36) TSHRMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL13627961 0.83 MAPK8 (0.40) TSHRMAPTNPSR1NPC1RAB9A
SCHEMBL13628153 0.83 HCRTR1 (0.37) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL13628151 0.83 HCRTR1 (0.36) TSHRMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL13628139 0.83 NPC1 (0.37) TSHRNPSR1SMN1; SMN2NPC1RAB9A

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 TSHR 4286/4885MEN1 4320/4885KMT2A 3594/4885

“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.