SCHEMBL13628126

SCHEMBL13628126

COC(=O)CCCN1C(=O)/C(=N/O)c2ccc(CBr)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.39
CASP1 P29466 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 7/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KAT2B Q92831 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL13628119 0.80 MAOB (0.40) ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL13628109 0.79 CCNC (0.41) HSD17B10MAPTCASP1ALOX15CASP7
SCHEMBL13628117 0.79 NR4A2 (0.39) HSD17B10MAPTCASP1ALOX15CASP7
SCHEMBL13910878 0.79 MAPT (0.42) HSD17B10MAPTCASP1ALOX15CASP7
SCHEMBL13628132 0.79 MAPT (0.42) HSD17B10MAPTCASP1ALOX15CASP7
SCHEMBL13910942 0.75 TRPA1 (0.51) HSD17B10MAPTKMT2AMAPK1GAA
SCHEMBL13628123 0.75 TRPA1 (0.51) HSD17B10MAPTKMT2AMAPK1GAA
SCHEMBL13910803 0.72 MAOB (0.32) MAPT
SCHEMBL13628121 0.69 CYP19A1 (0.49) HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL28908599 0.66 KMT2A (0.70) HSD17B10MAPTALDH1A1MEN1KMT2A

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 HSD17B10 3985/4885MAPT 1666/4885CASP1 355/4885

“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.