SCHEMBL600160

SCHEMBL600160

COCCOCCOc1cc[n+]([O-])cc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 5/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL599628 0.82 GPR84 (0.35) GPR84ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL599996 0.78 GPR84 (0.34) GPR84L3MBTL1MAPTHTTTDP1
SCHEMBL21169162 0.73 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL15430848 0.70 HTR1A (0.57) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL4101620 0.68 L3MBTL1 (0.61) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL5349206 0.68 L3MBTL1 (0.61) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL1930261 0.68 KMT2A (0.55) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL863233 0.68 HTR1A (0.45) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL10348478 0.67 L3MBTL1 (0.46) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT
SCHEMBL10349000 0.67 L3MBTL1 (0.46) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MAPT

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 GPR84 3620/4885ALDH1A1 1770/4885KDM4E 3364/4885

“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.