SCHEMBL6020182

SCHEMBL6020182

CCN(C#N)C(=O)C(CSC)NC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NLRP3 Q96P20 1/20 0.43
FPR2 P25090 10/20 0.42
FPR1 P21462 8/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
IL18 Q14116 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 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
SCHEMBL6019816 0.87 CTSL (0.48) FPR2MEN1KMT2AKDM4ERAB9A
SCHEMBL6019637 0.85 CA12 (0.43) SAE1UBA2LMNAMAPTTSHR
SCHEMBL6019541 0.85 FPR2 (0.47) MAPTHTTFPR2MEN1KMT2A
SCHEMBL6020406 0.84 MEN1 (0.46) LMNAMAPTHTTFPR2FPR1
SCHEMBL6020284 0.84 FPR2 (0.51) FPR2FPR1
SCHEMBL6021076 0.84 MCHR1 (0.41) FPR2RAB9ACTSLCTSBCTSS
SCHEMBL6021011 0.84 CYP2C9 (0.50) LMNAMAPTFPR2MEN1KMT2A
SCHEMBL6020437 0.84 FPR2 (0.52) SAE1UBA2FPR2FPR1
SCHEMBL6020135 0.83 FPR2 (0.50) LMNAMAPTFPR2POLBRAB9A
SCHEMBL6020742 0.81 NPC1 (0.48) MAPTMEN1KMT2AKDM4EPOLB

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 SAE1 2437/4885UBA2 2179/4885LMNA 549/4885

“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.