SCHEMBL13628158

SCHEMBL13628158

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1cc(=O)c2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 11/20 0.40
MEN1 O00255 8/20 0.40
MAPT P10636 6/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
ABCB1 P08183 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13628161 0.91 RAB9A (0.43) KMT2AMEN1MAPTPOLBHTT
SCHEMBL13628167 0.86 GRM1 (0.42) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL13628195 0.86 RPS6KA2 (0.40) POLBNPC1RAB9AKDM4E
SCHEMBL13628302 0.85 RAB9A (0.42) MAPTPOLBHTTSMN1; SMN2NPC1
SCHEMBL13628197 0.84 NPC1 (0.39) KMT2AMEN1POLBSMN1; SMN2NPC1
SCHEMBL13628208 0.84 KDM4E (0.38) KMT2AMEN1POLBHTTSMN1; SMN2
SCHEMBL13628152 0.83 MAPK8 (0.39) MAOAPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13628306 0.83 ALDH1A1 (0.41) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL13628304 0.83 RAB9A (0.41) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL13628148 0.83 MAPK8 (0.37) POLBSMN1; SMN2NPC1RAB9AALDH1A1

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 MAOA 3187/4885MAOB 2918/4885KMT2A 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.