SCHEMBL601236

SCHEMBL601236

COCCCCCCCCOc1cc[nH]c(=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
DDAH1 O94760 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
IDE P14735 1/20 0.33
ADRA2B P18089 1/20 0.33
TBXA2R P21731 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
NPY1R P25929 1/20 0.33
ADORA1 P30542 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL601506 0.86 P2RY12 (0.34) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL600960 0.85 GPR84 (0.39) KMT2AKDM4EMAPTCYP2C9ALDH1A1
SCHEMBL602915 0.82 PTGS2 (0.39) ALDH1A1P2RY12GAA
SCHEMBL599561 0.81 KDM4E (0.43) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL600460 0.81 KMT2A (0.31) KMT2AKDM4EMAPTCYP2C9ALDH1A1
SCHEMBL601778 0.79 LMNA (0.33) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL599638 0.76 KDM4E (0.34) DAOKDM4EALDH1A1
SCHEMBL9387560 0.72 SCN10A (0.34) DAOKMT2AKDM4EMAPTCYP2C9
SCHEMBL601831 0.72 MEN1 (0.33) KMT2AKDM4EMAPTALDH1A1LMNA
SCHEMBL4484727 0.71 L3MBTL1 (0.59) MAPTCYP2C9LMNAPOLBPTK2B

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 DAO 3349/4885KMT2A 3830/4885KDM4E 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.