SCHEMBL13628319

SCHEMBL13628319

Cc1cc2c(cc1C(=O)c1ccccc1)/C(=N/O)C(=O)N2Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CXCR5 P32302 1/20 0.35
MAPK8 P45983 1/20 0.35
TSHR P16473 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 4/20 0.34
CYP1A2 P05177 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 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
SCHEMBL13628248 0.91 NPC1 (0.38) HPGDNPC1RAB9APOLBNPSR1
SCHEMBL13910954 0.89 NPC1 (0.36) HPGDNPC1RAB9APOLBNPSR1
SCHEMBL13628215 0.89 NPC1 (0.36) HPGDNPC1RAB9APOLBNPSR1
SCHEMBL13628271 0.88 MAPK8 (0.36) NPC1RAB9APOLBNPSR1CXCR5
SCHEMBL13628315 0.88 POLB (0.37) HPGDNPC1RAB9APOLBNPSR1
SCHEMBL13628284 0.87 MAPK8 (0.38) HPGDNPC1RAB9APOLBNPSR1
SCHEMBL13628329 0.85 NPC1 (0.36) NPC1RAB9APOLBNPSR1CXCR5
SCHEMBL14269986 0.84 POLB (0.39) NPC1RAB9APOLBNPSR1CXCR5
SCHEMBL13911274 0.84 POLB (0.34) NPC1RAB9APOLBNPSR1CXCR5
SCHEMBL13627961 0.83 MAPK8 (0.40) NPC1RAB9APOLBNPSR1CXCR5

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 HPGD 1551/4885NPC1 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.