SCHEMBL6567950

SCHEMBL6567950

CC(C)C(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNF P01375 1/20 0.37
LMNA P02545 2/20 0.37
MGLL Q99685 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MC4R P32245 1/20 0.36

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
SCHEMBL6565654 0.88 MEN1 (0.49) L3MBTL1KMT2AMAPTALDH1A1MEN1
SCHEMBL6564731 0.86 HSPB1 (0.45) HSPB1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL6564830 0.86 SMN1; SMN2 (0.41) HSPB1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL6564760 0.86 MAPT (0.46) HSPB1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL6567602 0.83 HSPB1 (0.40) HSPB1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL6566841 0.83 SMN1; SMN2 (0.48) HSPB1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL6566670 0.82 KMT2A (0.47) L3MBTL1KMT2AMAPTALDH1A1MEN1
SCHEMBL6564414 0.81 KMT2A (0.45) HSPB1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL6564692 0.80 ALOX5 (0.37) L3MBTL1KMT2AMAPTALDH1A1MEN1
SCHEMBL6564797 0.79 MAPT (0.41) HSPB1L3MBTL1KMT2AMAPTALDH1A1

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 HSPB1 2636/4885L3MBTL1 2613/4885KMT2A 3137/4885

“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.