SCHEMBL12338166

SCHEMBL12338166

CCc1c(C(C)C)nc[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ TMIGD3 P0DMS9 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PNP P00491 8/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CAPN1 P07384 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
SCHEMBL8199925 0.75 ALDH1A1 (0.40) ALDH1A1HPGDUSP2LMNAHSD17B10
SCHEMBL12340471 0.75 CYP1A2 (0.42) CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
SCHEMBL9902092 0.75 CYP1A2 (0.42) CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
SCHEMBL21841298 0.73 BCL2 (0.41) CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
SCHEMBL14434857 0.73 CYP1A2 (0.41) CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
SCHEMBL10110373 0.72 ACVR1 (0.31) —
SCHEMBL21741322 0.69 GCGR (0.37) —
SCHEMBL13911355 0.68 HPGD (0.46) CYP1A2TMIGD3CYP2C9ADORA1ALDH1A1
SCHEMBL4962059 0.67 TYR (0.30) HPGDUSP2LMNAHSD17B10
SCHEMBL20327126 0.67 CDK1 (0.31) —

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
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 — — US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 — — 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 CYP1A2 886/4885TMIGD3 3175/4885CYP2C9 957/4885

“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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