SCHEMBL6019734

SCHEMBL6019734

N#CCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)CCCc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HCRTR1 O43613 1/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
CTSS P25774 5/20 0.55
CTSB P07858 5/20 0.55
CTSK P43235 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MC5R P33032 6/20 0.53
MC1R Q01726 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL6021106 0.95 CTSL (0.59) CTSLMEN1KMT2AHCRTR1LMNA
SCHEMBL6020415 0.92 MEN1 (0.54) CTSLMEN1KMT2AHCRTR1LMNA
SCHEMBL6021415 0.91 CTSL (0.63) CTSLMEN1KMT2AHCRTR1MAPT
SCHEMBL6021157 0.90 CTSL (0.62) CTSLMEN1KMT2AMAPTCTSS
SCHEMBL6019965 0.90 CTSL (0.59) CTSLMEN1KMT2AHCRTR1CTSS
SCHEMBL6020782 0.89 CTSL (0.71) CTSLMEN1KMT2AHCRTR1CTSS
SCHEMBL6020419 0.89 MEN1 (0.57) MEN1KMT2AHCRTR1LMNAMAPT
SCHEMBL6019873 0.86 MC1R (0.53) CTSLMEN1KMT2ALMNAMAPT
SCHEMBL6019737 0.85 MEN1 (0.55) MEN1KMT2AHCRTR1LMNAMAPT
SCHEMBL6021348 0.85 CTSL (0.66) CTSLMEN1KMT2AHCRTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSL 2274/4885MEN1 4215/4885KMT2A 1324/4885

“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.