SCHEMBL6019873

SCHEMBL6019873

N#CCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 6/20 0.53
MC5R P33032 5/20 0.53
MC3R P41968 3/20 0.50
MC4R P32245 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTSL P07711 2/20 0.49
NMBR P28336 3/20 0.48
GFER P55789 1/20 0.48
BRS3 P32247 3/20 0.47
TACR3 P29371 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL6020415 0.95 MEN1 (0.54) MC1RMC5RMC3RMC4RMEN1
SCHEMBL6020584 0.92 MC1R (0.58) MC1RMC5RMC3RMC4RCTSL
SCHEMBL6021106 0.91 CTSL (0.59) MC1RMC5RMC3RMEN1KMT2A
SCHEMBL6020413 0.90 KMT2A (0.60) MEN1KMT2ACTSLNMBRBRS3
SCHEMBL6019552 0.90 GFER (0.59) MEN1KMT2ACTSLNMBRGFER
SCHEMBL6019882 0.89 CTSL (0.60) MEN1KMT2ACTSLNMBRBRS3
SCHEMBL6019734 0.86 CTSL (0.58) MC1RMC5RMC3RMC4RMEN1
SCHEMBL6021114 0.85 KMT2A (0.58) MEN1KMT2ACTSLNMBRBRS3
SCHEMBL6020366 0.84 KMT2A (0.54) MEN1KMT2ACTSLNMBRGFER
SCHEMBL6021098 0.84 MEN1 (0.64) MEN1KMT2ACTSLNMBRBRS3

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 12 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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 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 MC1R 1615/4885MC5R 1084/4885MC3R 1665/4885

“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.