SCHEMBL3592382

SCHEMBL3592382

COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.63
POLB P06746 3/20 0.63
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 1/20 0.50
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
TTR P02766 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL6890335 0.87 TDP1 (0.52) TDP1POLBGAANPSR1CYP2C19
SCHEMBL9164744 0.86 POLB (0.60) TDP1POLBGAANPSR1CYP2C19
SCHEMBL27262132 0.86 POLB (0.60) TDP1POLBGAANPSR1CYP2C19
SCHEMBL5177892 0.85 TDP1 (0.53) TDP1POLBGAAMAPTALDH1A1
SCHEMBL17726697 0.84 POLB (0.49) TDP1POLBGAANPSR1CYP2C19
SCHEMBL30484019 0.84 NPSR1 (0.50) TDP1POLBGAANPSR1CYP2C19
SCHEMBL1970679 0.84 NPSR1 (0.50) TDP1POLBGAANPSR1CYP2C19
SCHEMBL6887172 0.84 NPSR1 (0.50) TDP1POLBGAANPSR1CYP2C19
SCHEMBL6882245 0.83 NPSR1 (0.49) TDP1POLBGAANPSR1CYP2C19
SCHEMBL12825048 0.82 TDP1 (0.50) TDP1POLBGAANPSR1CYP2C19

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TDP1 4591/4885POLB 1341/4885GAA 4641/4885

“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.