SCHEMBL6020143

SCHEMBL6020143

COc1ccc(NC(=O)N(S)CCC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.43
ESR2 Q92731 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 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
SCHEMBL6020760 0.83 EPHX2 (0.51) ALDH1A1HPGDSMN1; SMN2NPC1USP2
SCHEMBL6019550 0.81 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6021585 0.79 SMN1; SMN2 (0.41) ALDH1A1GAAHPGDSMN1; SMN2NPC1
SCHEMBL6020902 0.77 GAA (0.52) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL5025964 0.75 CASR (0.60) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL8942204 0.72 CYP1A2 (0.66) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6021584 0.72 KMT2A (0.51) ALDH1A1GAASMN1; SMN2LMNAUSP2
SCHEMBL11796642 0.71 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL7088596 0.71 NPC1 (0.66) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL14557553 0.70 NPC1 (0.63) ALDH1A1GAAHPGDSMN1; SMN2NPC1

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 6 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
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US 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 ALDH1A1 662/4885GAA 3708/4885HPGD 2321/4885

“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.