SCHEMBL6566947

SCHEMBL6566947

COC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccccc1)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
PYGL P06737 1/20 0.39
SLC6A2 P23975 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
SCHEMBL6567723 0.90 MEN1 (0.52) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6566670 0.86 KMT2A (0.47) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6565314 0.86 MEN1 (0.47) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6565839 0.84 MEN1 (0.44) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6567038 0.82 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6566496 0.82 MEN1 (0.46) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6564691 0.82 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6564760 0.82 MAPT (0.46) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6565759 0.80 MEN1 (0.45) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6567991 0.80 MEN1 (0.45) MEN1KMT2AMAPTHPGDSMN1; SMN2

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.