SCHEMBL5580003

SCHEMBL5580003

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.57
CTSL P07711 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
HCAR3 P49019 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP7 P55210 1/20 0.54
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
AR P10275 1/20 0.52
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C1 Q04828 1/20 0.51
WNK1 Q9H4A3 1/20 0.50
MAOB P27338 1/20 0.49

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
SCHEMBL5579639 0.90 CTSV (0.55) CTSVCTSLL3MBTL1TDP1ALDH1A1
SCHEMBL810481 0.87 MAPT (0.55) CTSVCTSLL3MBTL1TDP1ALDH1A1
SCHEMBL11355262 0.85 MAPT (0.63) L3MBTL1HCAR3TDP1ALDH1A1MAPK1
SCHEMBL3919788 0.85 MAPK1 (0.63) CTSVCTSLL3MBTL1TDP1ALDH1A1
SCHEMBL20280585 0.85 ALDH1A1 (0.48) CTSVCTSLL3MBTL1HCAR3TDP1
SCHEMBL5451216 0.85 HCAR3 (0.70) CTSVCTSLHCAR3ALDH1A1MAPT
SCHEMBL5579572 0.84 MAPT (0.56) L3MBTL1TDP1ALDH1A1MAPK1MAPT
SCHEMBL20773049 0.83 BCL6 (0.51) CTSVCTSLARMEN1KMT2A
SCHEMBL20268031 0.83 L3MBTL1 (0.46) CTSVCTSLL3MBTL1TDP1ALDH1A1
SCHEMBL8391099 0.83 AKR1C3 (0.71) CTSVCTSLL3MBTL1MAPTPKM

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 2196/4885L3MBTL1 1776/4885

“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.