SCHEMBL6564559

SCHEMBL6564559

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RORC P51449 2/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
PYGL P06737 1/20 0.38

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
SCHEMBL6568088 0.92 MAPT (0.43) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6565759 0.92 MEN1 (0.45) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6567993 0.90 RORC (0.44) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6567802 0.90 MAPT (0.47) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6566648 0.89 MAPT (0.41) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6565314 0.88 MEN1 (0.47) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6564691 0.88 MEN1 (0.48) MAPTLMNANPC1ALDH1A1RORC
SCHEMBL6564414 0.87 KMT2A (0.45) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6566827 0.86 RORC (0.45) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL6564684 0.85 MEN1 (0.41) MAPTLMNANPC1ALDH1A1HTT

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 4043/4885NPC1 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.