SCHEMBL5579908

SCHEMBL5579908

CC(=O)N(Cc1ccccc1)c1c(F)c(F)c(OCc2ccccc2)c(F)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 2/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MGMT P16455 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSV O60911 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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
SCHEMBL11301934 0.84 ALDH1A1 (0.43) TSPOLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7552230 0.77 MGMT (0.49) CYP19A1MGMTMEN1KMT2A
SCHEMBL5579678 0.76 CYP19A1 (0.53) CYP19A1BRD4LMNAMGMTMEN1
SCHEMBL7965562 0.74 TSPO (0.46) TSPOALOX5PTGS1PTGS2CYP19A1
SCHEMBL11299321 0.71 TSPO (0.45) TSPOLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL26022674 0.70 MAOB (0.47) CYP19A1BRD4LMNAALDH1A1MGMT
SCHEMBL12098021 0.70 TSPO (0.46) TSPOCYP19A1LMNAALDH1A1SMN1; SMN2
SCHEMBL31190951 0.70 MAOB (0.47) CYP19A1BRD4LMNAALDH1A1MGMT
SCHEMBL31644500 0.69 MAOB (0.51) BRD4LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12253970 0.68 PTPN1 (0.47) CYP19A1MGMTSMN1; SMN2L3MBTL1MEN1

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 TSPO 149/4885ALOX5 3156/4885PTGS1 552/4885

“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.

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