SCHEMBL6021157

SCHEMBL6021157

N#CCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.62
CTSS P25774 6/20 0.60
MC1R Q01726 6/20 0.60
CTSB P07858 5/20 0.60
MC5R P33032 5/20 0.60
CTSK P43235 3/20 0.60
TACR1 P25103 1/20 0.52
MC4R P32245 3/20 0.51
MC3R P41968 3/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CTSV O60911 1/20 0.49
BRS3 P32247 1/20 0.49

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 0.92 CTSL (0.59) CTSLCTSSMC1RCTSBMC5R
SCHEMBL6021405 0.91 CTSL (0.68) CTSLCTSSCTSBCTSKTACR1
SCHEMBL6020584 0.91 MC1R (0.58) CTSLCTSSMC1RCTSBMC5R
SCHEMBL6019734 0.90 CTSL (0.58) CTSLCTSSMC1RCTSBMC5R
SCHEMBL6020812 0.90 CTSL (0.63) CTSLCTSSCTSBCTSKTACR1
SCHEMBL6020310 0.89 CTSL (0.77) CTSLCTSSCTSBCTSKTACR1
SCHEMBL6021141 0.83 CTSL (0.62) CTSLCTSSCTSBCTSKTACR1
SCHEMBL6185639 0.83 CTSL (0.62) CTSLCTSSCTSBCTSK
SCHEMBL6019873 0.83 MC1R (0.53) CTSLCTSSMC1RCTSBMC5R
SCHEMBL6020444 0.83 BRS3 (0.57) CTSLCTSSCTSBCTSKTACR1

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 CTSL 2274/4885CTSS 2720/4885MC1R 1615/4885

“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.