SCHEMBL599561

SCHEMBL599561

CCCOc1cc[nH]c(=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
PDE5A O76074 10/20 0.37
CYP2A6 P11509 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL600960 0.90 GPR84 (0.39) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL601778 0.83 LMNA (0.33) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL601236 0.81 DAO (0.34) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL601506 0.80 P2RY12 (0.34) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL600119 0.79 MAPT (0.37) KDM4EALDH1A1MAPTHPGDCYP2A6
SCHEMBL601831 0.76 MEN1 (0.33) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL18257252 0.75 PDE3B (0.40) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL4484727 0.75 L3MBTL1 (0.59) MAPTHTTLMNAPOLBGAA
SCHEMBL8661562 0.73 MAPT (0.39) KDM4EALDH1A1MAPTHPGDPDE5A
SCHEMBL8549490 0.72 PPARD (0.44) KDM4EALDH1A1MAPTHPGDHTT

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 KDM4E 3364/4885ALDH1A1 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.