SCHEMBL600460

SCHEMBL600460

COCCCCCCCCOc1cc[nH]c(=S)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.31
ALDH1A1 P00352 5/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 3/20 0.31
HPGD P15428 3/20 0.31
LMNA P02545 3/20 0.31
HSD17B10 Q99714 2/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CYP2C9 P11712 2/20 0.31
DDAH1 O94760 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
IDE P14735 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL600143 0.86 ALDH1A1 (0.34) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL601317 0.85 MAPT (0.36) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL600119 0.81 MAPT (0.37) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL601236 0.81 DAO (0.34) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL601074 0.79 APOBEC3G (0.33) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL600645 0.76 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL599908 0.74 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL600956 0.72 MEN1 (0.33) KMT2AMAPTMEN1MAPK1
SCHEMBL601506 0.67 P2RY12 (0.34) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL27264013 0.66 KMT2A (0.41) KMT2AALDH1A1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420500-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION aRigen Pharmaceuticals, Inc. (JP) 2012-02-22 EP disclosed
US-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION LINK GENOMICS, INC. (JP) 2012-02-16 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-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION TPMT, TST, PTPN11 KMT2A 3830/4885ALDH1A1 1770/4885MAPT 4487/4885

“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.