SCHEMBL6020945

SCHEMBL6020945

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTSS P25774 4/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 2/20 0.47
FPR2 P25090 3/20 0.46
CTSK P43235 2/20 0.46
NLRP3 Q96P20 2/20 0.46
TACR2 P21452 4/20 0.44
FPR1 P21462 2/20 0.44

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
SCHEMBL6019593 0.91 FPR2 (0.47) NPC1RAB9ACTSSCTSLFPR2
SCHEMBL6020763 0.91 CTSL (0.57) NPC1RAB9AMEN1KMT2ACTSS
SCHEMBL6021562 0.91 CTSS (0.48) NPC1RAB9AMEN1KMT2ACTSS
SCHEMBL6020745 0.85 NPC1 (0.46) NPC1RAB9AMEN1KMT2A
SCHEMBL6020189 0.84 CTSS (0.57) CTSSCTSLCTSBFPR2CTSK
SCHEMBL6019362 0.83 CTSL (0.54) NPC1RAB9ACTSSCTSLCTSB
SCHEMBL6020234 0.83 CTSL (0.48) NPC1RAB9AMEN1KMT2ACTSS
SCHEMBL6019996 0.83 FPR2 (0.54) CTSSCTSLFPR2CTSKFPR1
SCHEMBL6020254 0.83 CTSL (0.59) NPC1RAB9AMEN1KMT2ACTSS
SCHEMBL6021278 0.83 NPC1 (0.43) NPC1RAB9AMEN1KMT2A

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.