SCHEMBL12888347

SCHEMBL12888347

CCOc1ccc(-c2nc(Cl)cc(OC3(C(=O)OC)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.45
▸ ESR1 P03372 5/20 0.44
▸ CHRNA7 P36544 4/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL12887447 0.86 ADORA3 (0.40) ADORA3ESR1NPC1RAB9AMAPT
SCHEMBL12888301 0.84 ADORA3 (0.39) ADORA3ESR1NPC1RAB9AALDH1A1
SCHEMBL12888279 0.81 ADORA3 (0.42) ADORA3MAPT
SCHEMBL12884962 0.79 KMO (0.38) —
SCHEMBL12887445 0.77 ADORA3 (0.39) ADORA3NPC1RAB9AMAPTALDH1A1
SCHEMBL12888234 0.75 KMO (0.37) —
SCHEMBL12888424 0.75 ALDH1A1 (0.50) ADORA3ESR1NPC1RAB9AKDR
SCHEMBL12884978 0.74 LMNA (0.35) NPC1RAB9AMAPTALDH1A1
SCHEMBL12888441 0.74 PDE4B (0.40) NPC1RAB9AMAPTALDH1A1
SCHEMBL12888413 0.74 ADORA3 (0.36) ADORA3NPC1RAB9ACA2MAPT

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-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 — — US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 — — US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 — — 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 (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-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 ADORA3 608/4885ESR1 2614/4885CHRNA7 408/4885

“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.

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