SCHEMBL21865015

SCHEMBL21865015

N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.60
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ RECQL P46063 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GPR35 Q9HC97 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL6684887 0.84 EGFR (0.56) EGFRALDH1A1MAPTHPGDTDP1
SCHEMBL6686433 0.83 MAPT (0.56) EGFRALDH1A1MAPTHPGDTDP1
SCHEMBL9360608 0.82 MAPT (0.55) EGFRALDH1A1MAPTHPGDTDP1
SCHEMBL9360611 0.82 MAPT (0.55) EGFRALDH1A1MAPTHPGDTDP1
SCHEMBL9876993 0.81 MAPT (0.68) EGFRALDH1A1MAPTHPGDTDP1
SCHEMBL21864706 0.80 EGFR (0.55) EGFRALDH1A1MAPTHPGDTDP1
SCHEMBL14561900 0.79 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL8541606 0.79 EGFR (0.65) EGFRALDH1A1MAPTHPGDTDP1
SCHEMBL3303847 0.76 ALDH1A1 (0.57) ALDH1A1MAPTHPGDTDP1CYP1A2
SCHEMBL25299940 0.76 ALDH1A1 (0.50) ALDH1A1MAPTHPGDTDP1CYP1A2

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-20210376381-A1 ADDITIVES FOR ELECTROLYTES IN Li-IONS BATTERIES HYDRO-QUéBEC (CA) 2021-12-02 — — US disclosed
WO-2020069619-A1 ADDITIVES FOR ELECTROLYTES IN LI-ION BATTERIES HYDRO-QUéBEC (CA) 2020-04-09 — — WO 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-20210376381-A1 ADDITIVES FOR ELECTROLYTES IN Li-IONS BATTERIES NDUFB9, SLC26A4, SLC9B2 EGFR 3337/4885ALDH1A1 638/4885MAPT 2848/4885

“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.

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