SCHEMBL13627969

SCHEMBL13627969

O=C1/C(=N\O)c2cc(Cl)ccc2N1Cc1csc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.51
GFER P55789 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
UCHL3 P15374 1/20 0.41
UCHL1 P09936 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
MCHR1 Q99705 1/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
SCN9A Q15858 4/20 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
SCHEMBL13627979 0.92 PTGDR2 (0.46) PTGDR2GFERLMNAALDH1A1SMN1; SMN2
SCHEMBL13627963 0.90 LMNA (0.45) PTGDR2GFERLMNAALDH1A1SMN1; SMN2
SCHEMBL13628013 0.87 CHRM5 (0.49) PTGDR2
SCHEMBL13628012 0.84 LMNA (0.43) PTGDR2GFERLMNAALDH1A1SMN1; SMN2
SCHEMBL13910884 0.81 PTGDR2 (0.36) PTGDR2LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL13627995 0.81 LMNA (0.42) PTGDR2GFERLMNAALDH1A1SMN1; SMN2
SCHEMBL13627874 0.81 ALDH3A1 (0.56) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13910699 0.79 LMNA (0.45) LMNAALDH1A1SMN1; SMN2KDM4ERXFP1
SCHEMBL13627927 0.76 ALDH3A1 (0.68) ALDH1A1UCHL3UCHL1ALDH2ALDH3A1
SCHEMBL13627968 0.75 ALDH1A1 (0.49) LMNAALDH1A1UCHL3UCHL1ALDH2

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 5 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
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 PTGDR2 2760/4885GFER 3366/4885LMNA 2123/4885

“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.