SCHEMBL6567602

SCHEMBL6567602

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
NR3C2 P08235 1/20 0.36
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MITF O75030 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6567911 0.89 MEN1 (0.44) MAPTALDH1A1LMNAKMT2ANR3C2
SCHEMBL6564760 0.87 MAPT (0.46) HSPB1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL6564830 0.85 SMN1; SMN2 (0.41) HSPB1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL6566841 0.84 SMN1; SMN2 (0.48) HSPB1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL6564731 0.83 HSPB1 (0.45) HSPB1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL6566670 0.83 KMT2A (0.47) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL6564797 0.83 MAPT (0.41) HSPB1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL6567950 0.83 HSPB1 (0.42) HSPB1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL6564414 0.83 KMT2A (0.45) HSPB1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL6568096 0.81 IDO1 (0.33) ALDH1A1KMT2ANR3C2

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 2636/4885MAPT 4743/4885ALDH1A1 907/4885

“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.