SCHEMBL5579901

SCHEMBL5579901

Oc1ccc(-c2nc3cc(OCc4ccccc4)ccc3n2Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
HTT P42858 5/20 0.57
TP53 P04637 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ESR1 P03372 2/20 0.54
PDE6D O43924 6/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CNR2 P34972 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30789263 0.95 ALDH1A1 (0.59) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL30789261 0.94 ESR1 (0.52) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL30789250 0.88 ALDH1A1 (0.61) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL30789282 0.87 ALDH1A1 (0.60) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL5579681 0.86 ALDH1A1 (0.62) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL30789276 0.85 TP53 (0.71) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL30789243 0.85 ALDH1A1 (0.58) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL30789245 0.85 ALDH1A1 (0.58) ALDH1A1HTTTP53SMN1; SMN2MAPT
SCHEMBL5579673 0.85 PTGES (0.64) MAPTLMNACYP1A2PTGS1SLC6A2
SCHEMBL30789246 0.84 ALDH1A1 (0.50) ALDH1A1HTTTP53SMN1; SMN2MAPT

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-20070004713-A1 Therapeutic benimidazole compounds ASTRAZENECA AB (SE) 2007-01-04 US disclosed
EP-1341768-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046168-A1 THERAPEUTIC BENZIMIDAZOLE COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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-20070004713-A1 Therapeutic benimidazole compounds ESR2, ESRRA, ESRRB ALDH1A1 307/4885HTT 2019/4885TP53 2983/4885

“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.