SCHEMBL6020191

SCHEMBL6020191

CSCC(NC(=O)Nc1ccc(C#N)cc1)C(=O)NCCC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
FPR2 P25090 13/20 0.43
FPR1 P21462 11/20 0.43
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
CNR1 P21554 1/20 0.43
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
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6020445 0.89 SAE1 (0.48) SAE1UBA2FPR2FPR1LMNA
SCHEMBL6019819 0.87 CASR (0.45) FPR2HTTCNR1RAB9AALDH1A1
SCHEMBL6019640 0.85 CA12 (0.43) SAE1UBA2FPR2FPR1LMNA
SCHEMBL6019544 0.85 FPR2 (0.52) FPR2MAPTHTTCNR1MEN1
SCHEMBL6020414 0.84 FPR1 (0.47) FPR2FPR1LMNAMAPTHTT
SCHEMBL6021018 0.84 TACR2 (0.49) FPR2LMNAMAPK1SMN1; SMN2
SCHEMBL6021080 0.84 TRPV1 (0.41) FPR2MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL6020288 0.83 FPR2 (0.56) FPR2FPR1
SCHEMBL6020139 0.83 FPR2 (0.50) FPR2LMNAMAPTKDM4EPOLB
SCHEMBL6020443 0.82 FPR2 (0.60) FPR2FPR1

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 2179/4885FPR2 3247/4885

“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.