SCHEMBL5836683

SCHEMBL5836683

Cn1c(=O)n(C2CCC2)c2ccc(CC(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ DRD2 P14416 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HPD P32754 3/20 0.45
▸ DDB1 Q16531 2/20 0.42
▸ CRBN Q96SW2 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PIK3CA P42336 7/20 0.41
▸ PRKDC P78527 6/20 0.41
▸ MTOR P42345 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL5838061 0.85 DRD2 (0.49) DRD2SLC6A4HPDDDB1CRBN
SCHEMBL5838051 0.83 DRD2 (0.52) DRD2SLC6A4HPDDDB1CRBN
SCHEMBL22862697 0.80 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6208794 0.80 HPD (0.56) KDM4EALDH1A1HSD17B10DRD2SLC6A4
SCHEMBL5836224 0.80 DRD2 (0.46) DRD2SLC6A4HPDDDB1CRBN
SCHEMBL23842108 0.78 DDB1 (0.72) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5838497 0.78 HPD (0.44) HPDDDB1CRBNPIK3CAPRKDC
SCHEMBL5838037 0.76 HPD (0.48) MAPTHPDPIK3CAPRKDCMTOR
SCHEMBL24818103 0.75 CRBN (0.70) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5836181 0.74 HPD (0.53) KDM4EALDH1A1HSD17B10DRD2SLC6A4

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-7056918-B2 Benzimidazole anti-inflammatory compounds PFIZER, INC. (US) 2006-06-06 — — US disclosed
EP-1370557-B1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2005-11-16 — — EP disclosed
EP-1370557-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2003-12-17 — — EP disclosed
US-20030092749-A1 Novel benzimidazole anti-inflammatory compounds PFIZER INC. 2003-05-15 — — US disclosed
WO-2002072576-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-09-19 — — 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-20030092749-A1 Novel benzimidazole anti-inflammatory compounds MAPK1, JAK1, CNKSR1 KDM4E 4128/4885ALDH1A1 1806/4885HPGD 1314/4885

“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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