SCHEMBL10047671

SCHEMBL10047671

COc1ccc(Nc2ccccc2Cc2nccs2)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
EPHX2 P34913 2/20 0.41
PDE4A P27815 10/20 0.40
PDE4D Q08499 9/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE5A O76074 2/20 0.40
QRFPR Q96P65 1/20 0.39

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
SCHEMBL15215721 0.90 PLA2G7 (0.36) EPHX2QRFPR
SCHEMBL1157461 0.81 POLB (0.54) POLBEPHX2PDE4APDE4DPDE4B
SCHEMBL4202484 0.80 POLB (0.48) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL1157366 0.77 POLB (0.56) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL1157857 0.75 POLB (0.54) POLBEPHX2PDE4APDE4DPDE4B
SCHEMBL1157875 0.74 PDE4D (0.64) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL1157396 0.74 POLB (0.53) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL1157431 0.73 POLB (0.55) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL1157747 0.73 QRFPR (0.61) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL1157580 0.73 POLB (0.54) POLBPDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
EP-2604260-B1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SHIONOGI & CO (JP) 2017-05-10 EP disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-9212130-B2 Heterocyclic derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-12-15 US disclosed
WO-2013118855-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE 塩野義製薬株式会社 (JP) 2013-08-15 WO disclosed
EP-2604260-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2013-06-19 EP disclosed
WO-2012020742-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2012-02-16 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 POLB 4279/4885EPHX2 556/4885PDE4A 2249/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 POLB 4279/4885EPHX2 556/4885PDE4A 2249/4885

“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.