SCHEMBL6566841

SCHEMBL6566841

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 7/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MITF O75030 1/20 0.41
HSPB1 P04792 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.39
NPC1 O15118 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
SCHEMBL6564760 0.87 MAPT (0.46) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6564830 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6567602 0.84 HSPB1 (0.40) MAPTALDH1A1KMT2AMITFHSPB1
SCHEMBL6564731 0.83 HSPB1 (0.45) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6566670 0.83 KMT2A (0.47) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4421204 0.83 HSPB1 (0.57) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6567950 0.83 HSPB1 (0.42) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6564414 0.83 KMT2A (0.45) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6565966 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6564797 0.81 MAPT (0.41) MAPTALDH1A1MEN1KMT2AHSPB1

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 SMN1; SMN2 2126/4885MAPT 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.