SCHEMBL6567396

SCHEMBL6567396

COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 3/20 0.64
CYP19A1 P11511 6/20 0.62
ALDH1A1 P00352 3/20 0.58
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
LMNA P02545 1/20 0.55
AKR1C3 P42330 2/20 0.53
GAA P10253 1/20 0.53
CRHBP P24387 1/20 0.53
HTT P42858 1/20 0.53
CRHR2 Q13324 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PPIA P62937 1/20 0.52
CYP11B1 P15538 2/20 0.51

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
SCHEMBL15942070 0.90 CYP19A1 (0.65) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL28216463 0.89 CYP19A1 (0.57) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL20581857 0.89 KMT2A (0.58) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL2393588 0.87 CYP19A1 (0.56) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL1319458 0.87 CTSV (0.63) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL2297894 0.86 MEN1 (0.66) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL6566866 0.86 CYP19A1 (0.59) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL6564411 0.86 MAPT (0.51) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL3949981 0.85 MEN1 (0.58) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL4649097 0.85 MEN1 (0.60) MEN1KMT2AMAPTCYP19A1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820078-A 2-benzyloxy-5-[3-(2,5-diethoxy-4-methanesulfonyl-benzyl)-ureido]- methyl benzoate new compound and preparation method and application thereof 齐鲁工业大学 2016-08-03 CN disclosed
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.