SCHEMBL5579639

SCHEMBL5579639

O=[N+]([O-])c1ccc(OCc2ccccc2)cc1Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 6/20 0.55
CTSL P07711 6/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP7 P55210 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AR P10275 1/20 0.52
BACE1 P56817 1/20 0.51
MAPT P10636 3/20 0.50
MAOB P27338 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47

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
SCHEMBL5580003 0.90 CTSV (0.57) CTSVCTSLALDH1A1MAPK1CASP7
SCHEMBL7975715 0.85 RAB9A (0.56) ALDH1A1MAPK1CASP7TDP1L3MBTL1
SCHEMBL9893444 0.85 MEN1 (0.57) CTSVCTSLL3MBTL1ARBACE1
SCHEMBL3919788 0.85 MAPK1 (0.63) CTSVCTSLALDH1A1MAPK1CASP7
SCHEMBL9893373 0.83 BACE1 (0.50) CTSVCTSLMAPK1L3MBTL1AR
SCHEMBL7719219 0.82 CTSV (0.56) CTSVCTSLBACE1MAPTSIRT2
SCHEMBL2336280 0.82 BACE1 (0.49) CTSVCTSLALDH1A1L3MBTL1AR
SCHEMBL17403333 0.82 MAPT (0.59) CTSVCTSLALDH1A1ARMAPT
SCHEMBL2327765 0.82 MEN1 (0.49) CTSVCTSLARBACE1MAPT
SCHEMBL30832846 0.82 MEN1 (0.57) CTSVCTSLL3MBTL1ARBACE1

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 CTSV 2849/4885CTSL 2196/4885ALDH1A1 307/4885

“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.