SCHEMBL6568138

SCHEMBL6568138

CCC(=O)c1cc([N+](=O)[O-])ccc1OCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TBXA2R P21731 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 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
SCHEMBL6565761 0.83 PTGDR2 (0.59) TP53HTTNPSR1KDM4EALDH1A1
SCHEMBL6567847 0.82 MAPT (0.44) TP53HTTNPSR1KDM4EALDH1A1
SCHEMBL6564609 0.81 MAPT (0.48) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL6568015 0.80 MAPT (0.48) HTTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL6567935 0.79 CYP19A1 (0.54) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL6565669 0.78 HTR2A (0.41) TP53HTTKDM4EALDH1A1KMT2A
SCHEMBL6564450 0.77 CYP19A1 (0.55) NPSR1KDM4EALDH1A1KMT2AMAPT
SCHEMBL6052178 0.76 KMT2A (0.44) HTTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL6566711 0.76 CYP19A1 (0.46) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL6564473 0.76 CYP19A1 (0.56) ALDH1A1KMT2AMEN1PTGDR2MAPT

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 TP53 4453/4885HTT 2150/4885NPSR1 111/4885

“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.