SCHEMBL6875732

SCHEMBL6875732

COc1c(OCc2ccccc2)cnc(CO)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
LIPE Q05469 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
AOC3 Q16853 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Hydrochloric Acid SCHEMBL10371670 0.86 MAPT (0.47) MAPTTDP1L3MBTL1MAPK1CDK1
SCHEMBL10372977 0.85 L3MBTL1 (0.53) MAPTTDP1L3MBTL1MAPK1ATP4A
SCHEMBL6876891 0.84 ALDH1A1 (0.51) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL9688517 0.81 AGXT (0.46) MAPTATP4AATP4BADRA1DADRA1A
SCHEMBL10917428 0.79 MAPT (0.57) MAPTTDP1L3MBTL1MAPK1ATP4A
SCHEMBL18233757 0.78 PTPN1 (0.48) MAPTTDP1L3MBTL1MAPK1ATP4A
SCHEMBL4684239 0.78 MGAM (0.44) MAPTTDP1L3MBTL1MAPK1ATP4A
SCHEMBL28749497 0.75 AOC3 (0.52) MAPTTDP1L3MBTL1MAPK1AOC3
SCHEMBL28108814 0.75 ABCB1 (0.50) MAPTTDP1L3MBTL1MAPK1MGAM
SCHEMBL27578473 0.75 AOC3 (0.49) MAPTTDP1L3MBTL1MAPK1MGAM

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-20040158066-A1 Novel pyridylmethylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-12 US disclosed
EP-1395592-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2004-03-10 EP disclosed
WO-2002094831-A1 NOVEL PYRIDYLMETHYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 WO disclosed
EP-0390842-A1 NOVEL BENZIMIDAZOLE DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-10-10 EP disclosed
WO-1989005299-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-06-15 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-20040158066-A1 Novel pyridylmethylaminopyrimidines PGLS, PLPBP, PDXK MAPT 4312/4885TDP1 2704/4885L3MBTL1 2960/4885

“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.