SCHEMBL1296384

SCHEMBL1296384

C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
NPC1 O15118 1/20 0.43
TACR1 P25103 1/20 0.43
HTT P42858 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL27824844 1.00 LMNA (0.48) LMNANAMPTKCNH2TRPV1KMT2A
SCHEMBL7277525 0.93 TACR1 (0.43) LMNANAMPTKCNH2TRPV1KMT2A
SCHEMBL8691338 0.91 ELANE (0.46) LMNANAMPTKCNH2TRPV1KMT2A
SCHEMBL1257864 0.91 LMNA (0.53) LMNANAMPTKCNH2TRPV1KMT2A
SCHEMBL8010107 0.87 FKBP4 (0.46) LMNANAMPTKCNH2TRPV1KMT2A
SCHEMBL11435718 0.87 NAMPT (0.48) LMNANAMPTKCNH2TRPV1KMT2A
SCHEMBL8010157 0.86 KCNH2 (0.54) KCNH2HTTALDH1A1MAPK1CYP2C9
SCHEMBL3277774 0.85 FKBP4 (0.57) KMT2ATACR1
Dimethyl Sulfoxide SCHEMBL15323267 0.85 TACR1 (0.43) LMNATRPV1KMT2AMMP2TACR1
SCHEMBL1295440 0.85 FKBP4 (0.53) LMNANAMPTKCNH2TRPV1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016120764-A1 ASPERGILLUS ORYZAE PROLYL ENDOPEPTIDASES AND USE THEREOF IN DEGRADATION OF POLYPEPTIDES CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS (CHUV) (CH) 2016-08-04 WO disclosed
US-8835393-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-09-16 US disclosed
US-20120276075-A1 SYNERGIC ACTION OF A PROLYL PROTEASE AND TRIPEPTIDYL PROTEASES CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS (CHUV) (CH) 2012-11-01 US disclosed
EP-2515932-A2 SYNERGIC ACTION OF A PROLYL PROTEASE AND TRIPEPTIDYL PROTEASES Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2012-10-31 EP disclosed
US-20110269696-A1 INHIBITORS OF IAPS GENENTECH INC. (US) 2011-11-03 US disclosed
WO-2011077359-A2 SYNERGIC ACTION OF A PROLYL PROTEASE AND TRIPEPTIDYL PROTEASES CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS (CHUV) (CH) 2011-06-30 WO 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-20110269696-A1 INHIBITORS OF IAPS XIAP, BIRC5, BIRC3 LMNA 698/4885NAMPT 3375/4885KCNH2 3202/4885

“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.