SCHEMBL6565639

SCHEMBL6565639

COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.45
ALPL P05186 1/20 0.45

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
SCHEMBL5214818 0.85 MAPT (0.56) MAPTKMT2AMEN1LMNAHTT
SCHEMBL9234021 0.82 ALDH1A1 (0.52) MAPTKMT2AMEN1LMNAHTT
SCHEMBL5565241 0.82 HTT (0.60) MAPTKMT2AMEN1LMNAHTT
SCHEMBL6757005 0.81 PYGL (0.56) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL6566669 0.81 HSD17B10 (0.50) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL29888811 0.80 LMNA (0.62) MAPTKMT2AMEN1LMNAHTT
SCHEMBL6587408 0.80 CTSV (0.58) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1446664 0.80 LMNA (0.62) MAPTKMT2AMEN1LMNAHTT
SCHEMBL6757032 0.79 ALDH1A1 (0.55) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL8473096 0.79 ALDH1A1 (0.61) MAPTKMT2AMEN1LMNAHTT

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 4743/4885KMT2A 3137/4885MEN1 4143/4885

“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.