SCHEMBL6566462

SCHEMBL6566462

COC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.62
PPIF P30405 1/20 0.58
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 5/20 0.50
CYP19A1 P11511 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
ESRRA P11474 1/20 0.49
HTT P42858 2/20 0.48
NTSR1 P30989 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AKR1C3 P42330 1/20 0.48

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
SCHEMBL6566692 0.88 MEN1 (0.61) PPIAMEN1KMT2AALDH1A1LMNA
SCHEMBL6566664 0.87 MEN1 (0.57) PPIAMEN1KMT2AALDH1A1LMNA
SCHEMBL6566900 0.86 MEN1 (0.56) PPIAMEN1KMT2AALDH1A1LMNA
SCHEMBL6566726 0.86 MEN1 (0.56) PPIAMEN1KMT2AALDH1A1LMNA
SCHEMBL6565756 0.85 MEN1 (0.56) PPIAMEN1KMT2ALMNAMAPK1
SCHEMBL6567594 0.85 MEN1 (0.61) PPIAMEN1KMT2ALMNAPOLB
SCHEMBL6567396 0.84 MEN1 (0.64) PPIAMEN1KMT2AALDH1A1LMNA
SCHEMBL6567641 0.83 PPIA (0.55) PPIAMEN1KMT2AALDH1A1LMNA
SCHEMBL6564712 0.82 PPIA (0.52) PPIAMEN1KMT2AALDH1A1LMNA
SCHEMBL6564360 0.82 MEN1 (0.54) PPIAMEN1KMT2AALDH1A1LMNA

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 PPIA 4339/4885PPIF 3847/4885MEN1 4143/4885

“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.