SCHEMBL6564411

SCHEMBL6564411

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NTSR1 P30989 1/20 0.50
LMNA P02545 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP19A1 P11511 3/20 0.47
HPGD P15428 2/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL28216463 0.87 CYP19A1 (0.57) MAPTALDH1A1SMN1; SMN2NPSR1NTSR1
SCHEMBL6564609 0.86 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPSR1NTSR1
SCHEMBL6567396 0.86 MEN1 (0.64) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL6566866 0.84 CYP19A1 (0.59) MAPTALDH1A1SMN1; SMN2NPSR1NTSR1
SCHEMBL2294409 0.81 FFAR4 (0.56) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL6564646 0.81 RXRA (0.47) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL5927325 0.81 PTGER1 (0.51) NPC1RAB9ARXRARXRBRXRG
SCHEMBL12952790 0.81 APP (0.51) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL730095 0.79 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL13581060 0.78 CCR5 (0.49) MAPTALDH1A1SMN1; SMN2NPSR1NTSR1

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 MAPT 4743/4885ALDH1A1 907/4885SMN1; SMN2 2126/4885

“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.