SCHEMBL5659575

SCHEMBL5659575

CC(=O)N(C(C)=O)c1ccc(Br)c([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MGMT P16455 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL1941427 0.85 CYP19A1 (0.38) CYP19A1THRATHRBMGMTALOX5
SCHEMBL16342378 0.73 LMNA (0.48) CYP19A1THRATHRBSMN1; SMN2LMNA
SCHEMBL5656398 0.72 CYP19A1 (0.43) CYP19A1THRATHRBMGMTDHODH
SCHEMBL25367087 0.71 MGMT (0.44) CYP19A1THRATHRBMGMTMEN1
SCHEMBL16738992 0.71 MGMT (0.50) CYP19A1THRATHRBMGMTLMNA
SCHEMBL8190681 0.70 CYP19A1 (0.37) CYP19A1MGMTALOX5PTGS1PTGS2
SCHEMBL25368475 0.70 THRA (0.43) CYP19A1THRATHRBMGMTSMN1; SMN2
SCHEMBL30510897 0.70 CYP19A1 (0.43) CYP19A1THRATHRBSMN1; SMN2LMNA
SCHEMBL26039527 0.70 CYP19A1 (0.43) CYP19A1THRATHRBSMN1; SMN2LMNA
SCHEMBL9007594 0.70 MGMT (0.50) CYP19A1MGMTSMN1; SMN2PTPN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 — — US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 — — US 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR CYP19A1 540/4885THRA 3990/4885THRB 4074/4885

“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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