SCHEMBL5656398

SCHEMBL5656398

O=C(Nc1ccc(Br)c([N+](=O)[O-])c1OCc1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.43
▸ PPIA P62937 1/20 0.40
▸ DHODH Q02127 2/20 0.39
▸ CTSV O60911 4/20 0.39
▸ CTSL P07711 4/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ APP P05067 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MYC P01106 1/20 0.37
▸ MAX P61244 1/20 0.37
▸ MGMT P16455 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 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
SCHEMBL8182509 0.80 L3MBTL1 (0.49) DHODHTHRATHRBBRD4TDP1
SCHEMBL30789279 0.76 PKM (0.58) CYP19A1CTSVCTSLL3MBTL1MEN1
SCHEMBL25368475 0.74 THRA (0.43) CYP19A1PPIACTSVCTSLTHRA
SCHEMBL8902020 0.73 AR (0.39) THRBTDP1L3MBTL1MEN1KMT2A
SCHEMBL16738929 0.72 AR (0.38) THRBTDP1L3MBTL1MEN1KMT2A
SCHEMBL5659575 0.72 CYP19A1 (0.42) CYP19A1DHODHTHRATHRBMGMT
SCHEMBL30510897 0.72 CYP19A1 (0.43) CYP19A1PPIACTSVCTSLTHRA
SCHEMBL26039527 0.72 CYP19A1 (0.43) CYP19A1PPIACTSVCTSLTHRA
SCHEMBL26618577 0.71 KMT2A (0.45) THRBL3MBTL1MEN1KMT2AMAPT
SCHEMBL25367087 0.71 MGMT (0.44) CYP19A1PPIACTSVCTSLTHRA

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 540/4885PPIA 1514/4885DHODH 2936/4885

“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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