SCHEMBL13104643

SCHEMBL13104643

CCc1ccc2[nH]c(=O)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
HCAR1 Q9BXC0 7/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
DDAH1 O94760 1/20 0.41
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
F11 P03951 1/20 0.37
TXN P10599 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL4535528 0.76 CA12 (0.48) KDM4EPDE3BPDE3AHCAR1CA12
SCHEMBL11465933 0.74 PDE3B (0.41) PDE3BPDE3AHCAR1CA12CA9
SCHEMBL17442949 0.72 F11 (0.48) KDM4EPDE3BPDE3AHCAR1CA12
SCHEMBL25911486 0.72 CA12 (0.41) KDM4EPDE3BPDE3AHCAR1CA12
SCHEMBL12044912 0.72 PDE10A (0.37) KDM4EDDAH1PDE10A
SCHEMBL19233139 0.72 CA12 (0.41) KDM4EPDE3BPDE3AHCAR1CA12
SCHEMBL29547698 0.72 CA12 (0.41) KDM4EPDE3BPDE3AHCAR1CA12
SCHEMBL26920936 0.72 PDE3B (0.42) PDE3BPDE3AHCAR1CA12CA9
SCHEMBL30564985 0.71 SIRT2 (0.45) KDM4EPDE3BPDE3AHCAR1CA12
SCHEMBL13094338 0.71 CA12 (0.44) KDM4EPDE3BPDE3AHCAR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KDM4E 4010/4885PDE3B 756/4885PDE3A 591/4885

“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.