SCHEMBL600127

SCHEMBL600127

COCCCCCCCCOc1cc[n+]([O-])cc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL600160 0.86 GPR84 (0.35) GPR84KDM4EKMT2AALDH1A1HTT
SCHEMBL601078 0.86 ALDH1A1 (0.42) GPR84KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL601767 0.85 ESR1 (0.40) GPR84KDM4EKMT2AALDH1A1HTT
SCHEMBL600103 0.81 GPR84 (0.37) GPR84KDM4EKMT2AALDH1A1HTT
SCHEMBL599996 0.79 GPR84 (0.34) GPR84HTTCYP2D6CYP2C19PTGDR2
SCHEMBL3562505 0.75 GPR84 (0.36) GPR84ALDH1A1HTTLMNAMAPK1
SCHEMBL28093256 0.73 KDM4E (0.33) KDM4EKMT2AALDH1A1HTTCYP2D6
SCHEMBL599628 0.72 GPR84 (0.35) GPR84KDM4EALDH1A1CYP2D6CYP2C19
SCHEMBL6841716 0.70 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL13313250 0.70 ALDH1A1 (0.56) KDM4EKMT2AALDH1A1HTTCYP2D6

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 3620/4885KDM4E 3364/4885KMT2A 3830/4885

“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.