SCHEMBL601506

SCHEMBL601506

COCCOCCOc1cc[nH]c(=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL601236 0.86 DAO (0.34) P2RY12ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL601831 0.82 MEN1 (0.33) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL600143 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL599561 0.80 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL601778 0.78 LMNA (0.33) ALDH1A1SMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL9387560 0.78 SCN10A (0.34) ALDH1A1KDM4ELMNAPOLBRAB9A
SCHEMBL602915 0.72 PTGS2 (0.39) P2RY12ALDH1A1
SCHEMBL18090997 0.70 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL4484727 0.70 L3MBTL1 (0.59) SMN1; SMN2LMNAPOLBL3MBTL1MAPT
SCHEMBL5256175 0.70 MAP2K1 (0.48) KDM4EMAPK1APPTDP1

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 P2RY12 42/4885ALDH1A1 1770/4885SMN1; SMN2 4875/4885

“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.