SCHEMBL13628119

SCHEMBL13628119

O=C1c2ccccc2C(=O)N1CCCN1C(=O)/C(=N/O)c2ccc(CBr)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
HSP90AB1 P08238 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARK7 Q99497 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL13628085 0.82 KDM4E (0.47) TDP1L3MBTL1HPGDTSHRSMN1; SMN2
SCHEMBL13628126 0.80 HSD17B10 (0.39) HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL13628104 0.79 KDM4E (0.44) ALDH1A1SMN1; SMN2
SCHEMBL13628125 0.77 HTT (0.41) TDP1ACHEALDH1A1LMNATSHR
SCHEMBL13628111 0.77 PTPRC (0.43) TDP1L3MBTL1HPGDALDH1A1TSHR
SCHEMBL13628093 0.77 MMP2 (0.45)
SCHEMBL13910803 0.75 MAOB (0.32) MAOBL3MBTL1LMNAPARK7
SCHEMBL13628098 0.75 HTR1A (0.49) HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL13628123 0.70 TRPA1 (0.51) L3MBTL1
SCHEMBL4351612 0.69 TDP1 (0.66) TDP1L3MBTL1SMN1; SMN2

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 MAOB 2918/4885TDP1 1524/4885L3MBTL1 1679/4885

“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.