SCHEMBL6019550

SCHEMBL6019550

CSc1ccc(NC(=O)N(S)CCC#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
FPR2 P25090 1/20 0.39

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
SCHEMBL6020143 0.81 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10USP2POLB
SCHEMBL6020902 0.77 GAA (0.52) ALDH1A1HPGDHSD17B10USP2POLB
SCHEMBL6020760 0.75 EPHX2 (0.51) ALDH1A1HPGDHSD17B10USP2SMN1; SMN2
SCHEMBL6021584 0.75 KMT2A (0.51) ALDH1A1HSD17B10USP2POLBSMN1; SMN2
SCHEMBL6021585 0.71 SMN1; SMN2 (0.41) ALDH1A1HPGDPOLBSMN1; SMN2KMT2A
SCHEMBL8901037 0.70 NOX1 (0.49) ALDH1A1SMN1; SMN2NOX1KDM4ELMNA
SCHEMBL7609575 0.70 NOX1 (0.60) ALDH1A1NOX1KDM4ELMNAKMT2A
SCHEMBL6020848 0.69 USP2 (0.42) ALDH1A1HPGDHSD17B10USP2POLB
SCHEMBL8181910 0.68 MAPT (0.49) ALDH1A1POLBNPSR1KDM4ELMNA
SCHEMBL6019546 0.68 IDO1 (0.54) ALDH1A1POLBSMN1; SMN2NPSR1LMNA

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 5 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-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
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 ALDH1A1 662/4885HPGD 2321/4885HSD17B10 903/4885

“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.