SCHEMBL6567918

SCHEMBL6567918

CCC(=O)c1cc([N+](=O)[O-])ccc1OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HPGD P15428 2/20 0.47
ABCB1 P08183 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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
SCHEMBL6567009 0.82 MAPT (0.47) MAPTHPGDKMT2AALDH1A1LMNA
SCHEMBL6564659 0.81 ABCB1 (0.47) MAPTABCB1KMT2AALDH1A1LMNA
SCHEMBL6565761 0.79 PTGDR2 (0.59) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL6567847 0.78 MAPT (0.44) MAPTABCB1KMT2AALDH1A1LMNA
SCHEMBL6564473 0.77 CYP19A1 (0.56) MAPTHPGDKMT2AALDH1A1LMNA
SCHEMBL6568138 0.76 TP53 (0.42) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL6566656 0.75 CYP19A1 (0.56) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL6564873 0.75 KMT2A (0.51) MAPTHPGDKMT2AALDH1A1LMNA
SCHEMBL732933 0.74 TP53 (0.55) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL6568015 0.74 MAPT (0.48) MAPTKMT2AALDH1A1LMNANPSR1

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 557/4885ABCB1 1210/4885

“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.