SCHEMBL6567911

SCHEMBL6567911

CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL6567602 0.89 HSPB1 (0.40) KMT2AMAPTNR3C2LMNAALDH1A1
SCHEMBL6567723 0.87 MEN1 (0.52) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6566027 0.85 MEN1 (0.47) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6566961 0.84 KMT2A (0.48) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6567985 0.84 CTSV (0.53) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6565819 0.83 SMN1; SMN2 (0.49) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6565654 0.82 MEN1 (0.49) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6567009 0.81 MAPT (0.47) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6565314 0.81 MEN1 (0.47) MEN1KMT2AMAPTHPGDCYP1A2
SCHEMBL6566670 0.81 KMT2A (0.47) MEN1KMT2AMAPTHPGDCYP1A2

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 MEN1 4143/4885KMT2A 3137/4885MAPT 4743/4885

“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.