SCHEMBL6019920

SCHEMBL6019920

CCN(C#N)C(=O)C(CSC)NC(=S)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
KMT2A Q03164 2/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.39
EPHX1 P07099 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
ABAT P80404 1/20 0.37

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
SCHEMBL6020995 0.87 MAPT (0.45) GAASMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL6021189 0.86 CA1 (0.49) GAAKMT2ACTSLCTSBCTSS
SCHEMBL6019466 0.85 ALDH1A1 (0.46) GAAKMT2ASMN1; SMN2LMNAHPGD
SCHEMBL6019306 0.84 GAA (0.44) GAAKMT2ACTSLCTSBCTSS
SCHEMBL6021356 0.84 CA1 (0.36) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL6019816 0.84 CTSL (0.48) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL6020861 0.84 L3MBTL1 (0.49) SMN1; SMN2LMNAHPGDALDH1A1MAPT
SCHEMBL6019826 0.83 CTSL (0.51) GAAKMT2ACTSLCTSBCTSS
SCHEMBL6020253 0.81 CTSL (0.47) KMT2ACTSLCTSBCTSSCTSK
SCHEMBL6021011 0.81 CYP2C9 (0.50) KMT2ACTSLCTSBCTSSCTSK

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 GAA 3708/4885KMT2A 1324/4885CTSL 2274/4885

“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.