SCHEMBL6021583

SCHEMBL6021583

COc1cc(NC(=S)NCCC#N)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
QPCT Q16769 6/20 0.53
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.40
QPCTL Q9NXS2 1/20 0.40

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
SCHEMBL10662571 0.78 KDM4E (0.67) ALDH1A1SMN1; SMN2HPGDQPCTGAA
SCHEMBL6922632 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDQPCTGAA
SCHEMBL6020131 0.77 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL14031287 0.74 KDM4E (0.57) ALDH1A1SMN1; SMN2HPGDQPCTGAA
SCHEMBL6019695 0.73 MAPK1 (0.41) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL457214 0.72 KDM4E (0.56) ALDH1A1SMN1; SMN2HPGDQPCTGAA
SCHEMBL4389947 0.72 QPCT (0.53) ALDH1A1SMN1; SMN2HPGDQPCTGAA
SCHEMBL5099786 0.71 CYP2C19 (0.71) ALDH1A1SMN1; SMN2GAAKMT2AKDM4E
SCHEMBL6296160 0.70 KDM4E (0.69) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL76801 0.70 QPCT (1.00) SMN1; SMN2QPCTGAAKMT2AQPCTL

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 662/4885SMN1; SMN2 3901/4885HPGD 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.