SCHEMBL13628139

SCHEMBL13628139

O=C1/C(=N\O)c2c(-c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 5/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CXCR5 P32302 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK8 P45983 1/20 0.35
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
P2RX7 Q99572 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL13628142 0.96 HCRTR1 (0.35) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628140 0.95 HCRTR1 (0.35) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628143 0.90 MAPK8 (0.35) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13627961 0.88 MAPK8 (0.40) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628191 0.88 NPC1 (0.39) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628220 0.87 MAPK8 (0.37) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628244 0.87 NPC1 (0.38) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628280 0.87 HCRTR1 (0.38) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628138 0.87 HCRTR1 (0.36) NPC1RAB9APOLBNPSR1KDM4E
SCHEMBL13628252 0.86 POLB (0.40) NPC1RAB9APOLBNPSR1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
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
EP-1175399-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) VERTEX PHARMA (US) 2009-03-11 EP 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.