SCHEMBL6020131

SCHEMBL6020131

COc1ccc(NC(=S)NCCC#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
MAOB P27338 4/20 0.56
MAPT P10636 3/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAOA P21397 3/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL6020757 0.82 LMNA (0.64) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL11771677 0.81 ALDH1A1 (0.72) ALDH1A1LMNAGAASMN1; SMN2MAOB
SCHEMBL6021230 0.80 CYP1A2 (0.64) ALDH1A1LMNASMN1; SMN2MAOBMAPT
SCHEMBL6019546 0.79 IDO1 (0.54) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL6021004 0.79 ALDH1A1 (0.44) ALDH1A1LMNAGAAMAOBMAPT
SCHEMBL13753681 0.78 ALDH1A1 (0.71) ALDH1A1LMNAGAASMN1; SMN2MAOB
SCHEMBL6021541 0.78 PTGS2 (0.44) ALDH1A1LMNAGAAMAPTHPGD
SCHEMBL6021583 0.77 ALDH1A1 (0.55) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL6020356 0.77 FPR2 (0.53) ALDH1A1LMNASMN1; SMN2MAOBMAPT
SCHEMBL8167087 0.77 CYP1A2 (0.85) ALDH1A1LMNAGAASMN1; SMN2MAOB

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 662/4885LMNA 549/4885GAA 3708/4885

“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.