SCHEMBL6568088

SCHEMBL6568088

COC(=O)c1cc([N+](=O)[O-])ccc1OC(c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
HSPB1 P04792 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.39
RORC P51449 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNMA1 Q12791 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6565759 0.94 MEN1 (0.45) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6564559 0.92 MAPT (0.44) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6567802 0.92 MAPT (0.47) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6566648 0.91 MAPT (0.41) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6566827 0.90 RORC (0.45) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6566670 0.90 KMT2A (0.47) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6564760 0.90 MAPT (0.46) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6564414 0.85 KMT2A (0.45) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6567991 0.84 MEN1 (0.45) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6567992 0.83 SLC6A4 (0.39) LMNAALDH1A1KDM4EKMT2AMEN1

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 MAPT 4743/4885LMNA 4043/4885ALDH1A1 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.