SCHEMBL6019546

SCHEMBL6019546

CSc1ccc(NC(=S)NCCC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
QPCT Q16769 1/20 0.52
LMNA P02545 7/20 0.46
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HTT P42858 4/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALOX12 P18054 4/20 0.44
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
P2RY6 Q15077 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL6021230 0.80 CYP1A2 (0.64) IDO1LMNAMAPTKMT2AMEN1
SCHEMBL6020131 0.79 ALDH1A1 (0.65) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL6020896 0.74 ALDH1A1 (0.65) QPCTLMNAMAPTKMT2AMEN1
SCHEMBL6020757 0.73 LMNA (0.64) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL6021580 0.72 ALDH1A1 (0.64) IDO1LMNAMAPTKMT2AMEN1
SCHEMBL24894101 0.72 IDO1 (0.70) IDO1QPCTLMNAMAPTHTT
SCHEMBL2235410 0.71 ALDH1A1 (0.69) IDO1QPCTLMNAMAPTKMT2A
SCHEMBL17913053 0.71 IDO1 (1.00) IDO1QPCTLMNAMAPTKMT2A
SCHEMBL11647526 0.70 ALDH1A1 (0.68) IDO1QPCTLMNAMAPTKMT2A
SCHEMBL77258 0.69 QPCT (1.00) QPCTKMT2AALDH1A1GAASMN1; SMN2

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 IDO1 4542/4885QPCT 4385/4885LMNA 549/4885

“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.