SCHEMBL13628207

SCHEMBL13628207

O=C(Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 5/20 0.41
CASP3 P42574 2/20 0.38
CASP2 P42575 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
WDR5 P61964 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13628197 0.92 NPC1 (0.39) MEN1KMT2ACASP3L3MBTL1POLB
SCHEMBL13628195 0.90 RPS6KA2 (0.40) POLBRAB9ANPC1
SCHEMBL13628145 0.88 POLB (0.42) MEN1KMT2AMAPTCASP3CASP7
SCHEMBL13637453 0.88 RPS6KA2 (0.42) MEN1KMT2AMAPTCASP3ALDH1A1
SCHEMBL13637629 0.85 MAPT (0.42) MEN1KMT2AMAPTCASP3ALDH1A1
SCHEMBL13628301 0.85 MAPK8 (0.34) MEN1KMT2AMAPTCASP3ALDH1A1
SCHEMBL13628170 0.85 MAPT (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13628199 0.85 MAPT (0.40) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13628152 0.85 MAPK8 (0.39) L3MBTL1ALDH1A1POLBLMNARAB9A
SCHEMBL13628302 0.84 RAB9A (0.42) MAPTALDH1A1POLBGAALMNA

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 MEN1 4320/4885KMT2A 3594/4885MAPT 1666/4885

“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.