SCHEMBL6020940

SCHEMBL6020940

CCN(C#N)C(=O)C(Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NLRP3 Q96P20 3/20 0.47
FPR2 P25090 7/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6019586 0.92 NPC1 (0.49) NPC1RAB9AMEN1KMT2ANLRP3
SCHEMBL6021552 0.91 NPC1 (0.47) NPC1RAB9AMEN1KMT2AFPR2
SCHEMBL6020742 0.86 NPC1 (0.48) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL6020184 0.84 FPR2 (0.51) FPR2
SCHEMBL6021275 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL6020228 0.84 CTSL (0.42) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL6019994 0.84 CCKBR (0.52) FPR2SMN1; SMN2
SCHEMBL6020763 0.82 CTSL (0.57) NPC1RAB9AMEN1KMT2ANLRP3
SCHEMBL6020533 0.82 GSK3B (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6020284 0.82 FPR2 (0.51) FPR2

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 10 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
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 NPC1 3877/4885RAB9A 841/4885MEN1 4215/4885

“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.