SCHEMBL13628196

SCHEMBL13628196

COc1cccc(C(=O)Nc2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MCL1 Q07820 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ROCK2 O75116 1/20 0.41
MAPK14 Q16539 2/20 0.41
GRM5 P41594 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL13628022 0.95 MEN1 (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13628274 0.93 KMT2A (0.37) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13911173 0.92 TSHR (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13637453 0.92 RPS6KA2 (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13910955 0.92 MAPT (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13628195 0.90 RPS6KA2 (0.40) NPC1RAB9APOLBROCK2MAPK14
SCHEMBL13637629 0.90 MAPT (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13628303 0.89 RAB9A (0.42) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13628199 0.89 MAPT (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13628203 0.88 NPC1 (0.43) NPC1RAB9AMEN1KMT2AMAPT

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 3486/4885MEN1 4320/4885

“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.