SCHEMBL7071541

SCHEMBL7071541

COc1ccc2nc(C(N)=O)n(OC(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.42
HPGDS O60760 1/20 0.41
ICAM1 P05362 2/20 0.41
SELE P16581 2/20 0.41
VCAM1 P19320 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ATAD2 Q6PL18 1/20 0.40
DYRK1A Q13627 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PLA2G10 O15496 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
CDC42 P60953 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
SCHEMBL18762307 0.75 MTNR1A (0.42) MTNR1AMTNR1BATAD2NPC1RAB9A
SCHEMBL18762308 0.75 MTNR1A (0.42) MTNR1AMTNR1BATAD2NPC1RAB9A
SCHEMBL7070889 0.74 NQO1 (0.44) KDM4EPOLBHPGDSNPC1RAB9A
SCHEMBL7071552 0.73 TDP1 (0.48) KDM4EPOLBHPGDSNPC1RAB9A
SCHEMBL7135637 0.72 MTNR1A (0.46) KDM4EMTNR1AMTNR1BNPC1RAB9A
SCHEMBL4695908 0.68 MTNR1A (0.42) KDM4EPOLBMTNR1AMTNR1BNPC1
SCHEMBL6270713 0.68 TDP1 (0.47) KDM4EPOLBHPGDSTDP1
SCHEMBL6047773 0.67 KDM4E (0.45) KDM4EPOLBMTNR1AMTNR1BPTGS2
SCHEMBL17582786 0.66 NCF1 (0.46) KDM4EPOLBNPC1RAB9ACYP1A2
SCHEMBL18805363 0.66 ALDH1A1 (0.48) KDM4EPOLBMTNR1AMTNR1BNPC1

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 KDM4E 2913/4885POLB 3479/4885HPGDS 2069/4885

“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.