SCHEMBL7068952

SCHEMBL7068952

COC(=S)c1ccnc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 1/20 0.33
SORT1 Q99523 2/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
GRM5 P41594 2/20 0.30
KDM5A P29375 1/20 0.30
JMJD1C Q15652 1/20 0.30
KDM3A Q9Y4C1 1/20 0.30

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
SCHEMBL6989840 0.81 CYP1A2 (0.37) ALDH1A1KMT2ASMN1; SMN2GRM4KDM4E
SCHEMBL4745019 0.78 GRM4 (0.39) ALDH1A1KMT2ASMN1; SMN2GRM4SORT1
SCHEMBL4384494 0.77 MAPK1 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4ENPC1
Potassium SCHEMBL6986956 0.76 GRM4 (0.38) ALDH1A1KMT2ASMN1; SMN2GRM4SORT1
SCHEMBL882664 0.69 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GRM4SORT1KDM4E
SCHEMBL1578942 0.69 KDM4E (0.53) ALDH1A1KMT2ASMN1; SMN2GRM4SORT1
SCHEMBL6501033 0.69 GRM4 (0.39) ALDH1A1GRM4SORT1KDM4ELMNA
SCHEMBL7070159 0.69 POLB (0.30)
SCHEMBL10274546 0.69 CNR1 (0.45) SORT1KDM4ENPC1RAB9AGRM5
SCHEMBL31224388 0.69 CNR1 (0.45) SORT1KDM4ENPC1RAB9AGRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US disclosed
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 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-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD ALDH1A1 273/4885KMT2A 751/4885SMN1; SMN2 3651/4885

“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.