SCHEMBL3596469

SCHEMBL3596469

CNCc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 7/20 0.51
ALDH1A1 P00352 6/20 0.51
GAA P10253 2/20 0.50
THRB P10828 1/20 0.50
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
GFER P55789 2/20 0.45
KMT2A Q03164 2/20 0.45
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
RECQL P46063 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 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
SCHEMBL588348 0.84 CYP3A4 (0.63) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL28382771 0.81 CYP1A2 (0.57) TSHRTDP1ALDH1A1THRBHTT
Nitrogen SCHEMBL28276545 0.81 CYP3A4 (0.59) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL31267416 0.80 POLB (0.43) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL13622923 0.80 MEN1 (0.46) CYP3A4TSHRTDP1ALDH1A1HTT
SCHEMBL28128307 0.80 GPR35 (0.51) TSHRTDP1ALDH1A1GAATHRB
SCHEMBL3594332 0.79 ALDH1A1 (0.50) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL2062178 0.79 CYP3A4 (0.56) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL22690154 0.79 CYP1A2 (0.43) CYP3A4TSHRTDP1ALDH1A1HTT
Hydrochloric Acid SCHEMBL1024616 0.79 MEN1 (0.44) CYP3A4TSHRTDP1ALDH1A1HTT

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 3 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
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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 CYP3A4 621/4885TSHR 1731/4885TDP1 4591/4885

“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.