SCHEMBL7075007

SCHEMBL7075007

CCOC(=O)c1nc2ccc(N)cc2n1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
ADORA2A P29274 1/20 0.40
RAB9A P51151 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 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
SCHEMBL7070711 0.84 ACSS2 (0.41) KDM4ELMNACYP1A2CYP3A4ACSS2
SCHEMBL7070906 0.78 TDP1 (0.51) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL617957 0.76 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2LMNAACSS2
SCHEMBL24187368 0.70 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL12245298 0.70 TLR7 (0.53) LMNAADORA2AALDH1A1
Hydrochloric Acid SCHEMBL30396830 0.69 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
Hydrochloric Acid SCHEMBL28961226 0.69 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL9670397 0.69 KDM4E (0.57) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL7085692 0.68 TSHR (0.50) KDM4EHSD17B10SMN1; SMN2LMNAADORA2A
SCHEMBL4297543 0.68 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY NIKOLAIDES NICHOLAS (US) 2003-11-20 US disclosed
EP-1263736-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2002-12-11 EP disclosed
WO-2001058878-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 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-20030216582-A1 2-CARBOXAMIDE-BENZIMIDAZOLES USEFUL IN THE TREATMENT AND PREVENTION OF ISCHEMIC REPERFUSION INJURY CBR3, BAK1, CBR1 ADORA3 24/4885KDM4E 2913/4885HSD17B10 1831/4885

“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.