SCHEMBL6566844

SCHEMBL6566844

COC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccccc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
PYGL P06737 1/20 0.44
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
RORC P51449 2/20 0.43
MAPT P10636 8/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
LMNA P02545 7/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 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
SCHEMBL6564432 0.91 MEN1 (0.45) TDP1MEN1KMT2ARORCMAPT
SCHEMBL6567993 0.89 RORC (0.44) TDP1PYGLMEN1KMT2ARORC
SCHEMBL6565314 0.89 MEN1 (0.47) TDP1MEN1KMT2ARORCMAPT
SCHEMBL6566496 0.87 MEN1 (0.46) TDP1MEN1KMT2ARORCMAPT
SCHEMBL6567723 0.86 MEN1 (0.52) MEN1KMT2ARORCMAPTHPGD
SCHEMBL6564691 0.84 MEN1 (0.48) TDP1PYGLMEN1KMT2ARORC
SCHEMBL6566010 0.84 IDO1 (0.48) TDP1PYGLMEN1KMT2AMAPT
SCHEMBL6566827 0.83 RORC (0.45) TDP1MEN1KMT2ARORCMAPT
SCHEMBL6564559 0.83 MAPT (0.44) TDP1PYGLMEN1KMT2ARORC
SCHEMBL6565759 0.83 MEN1 (0.45) MEN1KMT2ARORCMAPTHPGD

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 TDP1 4456/4885PYGL 4804/4885MEN1 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.