SCHEMBL13627894

SCHEMBL13627894

O=C1/C(=N\O)c2ccccc2N1Cc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
HPGD P15428 1/20 0.59
UBE2N P61088 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CASP3 P42574 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
LRRK2 Q5S007 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 3/20 0.53
CES1 P23141 3/20 0.51
ACHE P22303 1/20 0.51
ALDH3A1 P30838 2/20 0.50
CHRM1 P11229 2/20 0.50
CES2 O00748 1/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL7611051 0.88 ALDH1A1 (0.66) LMNACASP3ALDH1A1MAPTLRRK2
SCHEMBL7611054 0.88 ALDH1A1 (0.66) LMNACASP3ALDH1A1MAPTLRRK2
SCHEMBL13627881 0.87 CES1 (0.67) LMNAALDH1A1MAPTLRRK2PKM
SCHEMBL13627937 0.86 CHRM5 (0.55) LMNAHPGDUBE2NATML3MBTL1
SCHEMBL13627880 0.86 ALDH1A1 (0.70) LMNAALDH1A1MAPTLRRK2PKM
SCHEMBL13627897 0.85 UBE2N (0.63) LMNAHPGDUBE2NATML3MBTL1
SCHEMBL13627936 0.84 TRPA1 (0.62) ALDH1A1MAPTLRRK2PKMTSHR
SCHEMBL13627950 0.83 MAPT (0.59) LMNAL3MBTL1CASP3ALDH1A1MAPT
SCHEMBL13627928 0.83 ALDH3A1 (0.51) LMNAHPGDUBE2NATML3MBTL1
SCHEMBL13627878 0.83 ALDH1A1 (0.70) LMNAALDH1A1MAPTLRRK2PKM

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 LMNA 2123/4885HPGD 1551/4885UBE2N 1915/4885

“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.