SCHEMBL6382020

SCHEMBL6382020

COc1cc(S)nc(OC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 3/20 0.40
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP3A4 P08684 2/20 0.37
HTR6 P50406 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL439716 0.83 LMNA (0.59) LMNATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL11749881 0.77 LMNA (0.37) LMNATDP1SMN1; SMN2NPC1RAB9A
SCHEMBL11744262 0.77 PDE2A (0.52) LMNATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL11006950 0.76 ALDH1A1 (0.50) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL8595031 0.74 LMNA (0.52) LMNATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL423189 0.74 LMNA (0.52) LMNATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL29868033 0.74 LMNA (0.52) LMNATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL3175016 0.73 LMNA (0.55) LMNATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL13063222 0.73 LMNA (0.50) LMNATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL16421175 0.73 LMNA (0.50) LMNATDP1L3MBTL1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165524-B1 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP disclosed
US-6673925-B2 REACTING BIS(4,6-DICHLORO-2-PYRIMIDINE)DISULFIDE WITH HYDROGENOLYSIS AGENT IN THE PRESENCE OF AN INERT SOLVENT AND REACTING HYDROGENOLYSIS PRODUCT WITH ALKALI METAL METHYLATE IN METHANOL SYNGENTA CROP PROTECTION, INC. 2004-01-06 US disclosed
US-20020095037-A1 Method of producing thiobarbituric acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-07-18 US disclosed
EP-1165524-A2 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES Syngenta Participations AG (CH) 2002-01-02 EP disclosed
WO-2000046212-A1 METHOD OF PRODUCING SUBSTITUTED PYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-08-10 WO disclosed
WO-2000046213-A2 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-08-10 WO disclosed
US-4057634-A Antiprotozoal(1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyridazines HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3991191-A Antiprotozoal (1-alkyl-5-nitro-imidazolyl-2-alkyl)-pyrimidines HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 US 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-20020095037-A1 Method of producing thiobarbituric acid derivatives BHMT2, MGMT, MRM1 LMNA 4402/4885TDP1 2097/4885L3MBTL1 707/4885

“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.