SCHEMBL6567009

SCHEMBL6567009

CCC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HTT P42858 2/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
GAA P10253 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL6564977 0.91 MAPT (0.46) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6566961 0.86 KMT2A (0.48) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6567985 0.86 CTSV (0.53) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6565654 0.84 MEN1 (0.49) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6567723 0.84 MEN1 (0.52) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6567918 0.82 MAPT (0.47) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6566027 0.82 MEN1 (0.47) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6567911 0.81 MEN1 (0.44) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6565819 0.80 SMN1; SMN2 (0.49) MAPTHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6564681 0.80 PPARA (0.41) HPGDKMT2ASMN1; SMN2PTGDR2ALDH1A1

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 4743/4885HPGD 557/4885CYP1A2 265/4885

“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.