SCHEMBL6846901

SCHEMBL6846901

CNC(=O)COc1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.72
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 5/20 0.66
HPGD P15428 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 1/20 0.60
MAPK1 P28482 2/20 0.59
PGR P06401 1/20 0.59
GAA P10253 1/20 0.59
PTGS1 P23219 1/20 0.59
HSD17B10 Q99714 1/20 0.59
DAPK1 P53355 1/20 0.58
PIM3 Q86V86 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL10727418 0.85 OGG1 (0.74) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL4302000 0.84 OGG1 (1.00) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8547788 0.83 OGG1 (0.62) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8547790 0.83 OGG1 (0.62) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL5162627 0.82 ALDH1A1 (0.68) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL28325522 0.82 OGG1 (0.89) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL8127612 0.81 ALDH1A1 (0.72) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL12003962 0.81 MEN1 (0.80) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL27211583 0.81 KDM4E (0.77) OGG1ALDH1A1KDM4EHPGDTDP1
SCHEMBL25463533 0.81 NCEH1 (0.57) OGG1ALDH1A1KDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP claimed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP claimed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 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 (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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 OGG1 4342/4885ALDH1A1 1600/4885KDM4E 2142/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 OGG1 4342/4885ALDH1A1 1600/4885KDM4E 2142/4885

“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.