SCHEMBL6564414

SCHEMBL6564414

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 7/20 0.42
TDP1 Q9NUW8 1/20 0.41
RORC P51449 1/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PYGL P06737 1/20 0.40
POLB P06746 1/20 0.40
KCNMA1 Q12791 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSPB1 P04792 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
SCHEMBL6564691 0.94 MEN1 (0.48) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6564760 0.94 MAPT (0.46) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6566607 0.91 MEN1 (0.43) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6564684 0.91 MEN1 (0.41) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6565314 0.90 MEN1 (0.47) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6566670 0.90 KMT2A (0.47) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6565695 0.89 KMT2A (0.43) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6564797 0.88 MAPT (0.41) KMT2AMEN1NPC1MAPTLMNA
SCHEMBL6564559 0.87 MAPT (0.44) KMT2AMEN1NPC1SMN1; SMN2MAPT
SCHEMBL6566827 0.87 RORC (0.45) KMT2AMEN1NPC1SMN1; SMN2MAPT

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 KMT2A 3137/4885MEN1 4143/4885NPC1 3521/4885

“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.