SCHEMBL13637629

SCHEMBL13637629

COc1ccc(C(=O)Nc2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 2/20 0.42
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
NAMPT P43490 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL13628273 0.93 MEN1 (0.42) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13637453 0.92 RPS6KA2 (0.42) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13628197 0.90 NPC1 (0.39) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL13628196 0.90 NPC1 (0.43) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL13628203 0.89 NPC1 (0.43) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13628195 0.89 RPS6KA2 (0.40) NPC1RAB9APOLB
SCHEMBL13628200 0.88 NPC1 (0.45) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13628301 0.87 MAPK8 (0.34) MAPTNPC1RAB9APOLBKMT2A
SCHEMBL13628170 0.87 MAPT (0.45) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL13628179 0.86 SMN1; SMN2 (0.53) MAPTTP53SMN1; SMN2POLBTHRB

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 2 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-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 MAPT 1666/4885NPC1 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.