SCHEMBL158376

SCHEMBL158376

CON=C1CCc2c(SC)cccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.33
IDO1 P14902 1/20 0.31
PARP1 P09874 1/20 0.31
HTR1A P08908 1/20 0.31
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL7897374 1.00 MAPT (0.35) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL27873729 1.00 MAPT (0.35) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL17190969 0.78 PARP1 (0.41) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL27873727 0.77 PARP10 (0.40) MAPTKDM4E
SCHEMBL1857350 0.77 PARP10 (0.40) MAPTKDM4E
SCHEMBL159742 0.77 SRD5A1 (0.39) MAPTKDM4EHTR1A
SCHEMBL27873730 0.77 SRD5A1 (0.39) MAPTKDM4EHTR1A
SCHEMBL7897372 0.77 SRD5A1 (0.39) MAPTKDM4EHTR1A
SCHEMBL7897504 0.77 KDM4E (0.31) MAPTKDM4E
SCHEMBL168071 0.77 PARP10 (0.40) MAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
EP-2424841-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS Elan Pharmaceuticals Inc. (US) 2012-03-07 EP disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
WO-2010126914-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2010-11-04 WO 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 (2 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-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 MAPT 248/4885CYP1A2 2293/4885CYP3A4 556/4885
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 MAPT 248/4885CYP1A2 2293/4885CYP3A4 556/4885

“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.