SCHEMBL8541606

SCHEMBL8541606

N#CC(C#N)=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.65
▸ ALDH1A1 P00352 7/20 0.58
▸ TRPA1 O75762 1/20 0.56
▸ PKM P14618 1/20 0.54
▸ GPR55 Q9Y2T6 1/20 0.54
▸ MAPT P10636 9/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HPGD P15428 6/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ RECQL P46063 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52

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
SCHEMBL9365089 0.81 PKM (0.67) EGFRALDH1A1PKMGPR55MAPT
SCHEMBL9365082 0.81 PKM (0.67) EGFRALDH1A1PKMGPR55MAPT
SCHEMBL4098988 0.80 ALDH1A1 (0.62) EGFRALDH1A1PKMGPR55MAPT
SCHEMBL4098990 0.80 ALDH1A1 (0.62) EGFRALDH1A1PKMGPR55MAPT
SCHEMBL13741911 0.80 ALDH1A1 (0.62) EGFRALDH1A1PKMGPR55MAPT
SCHEMBL21865015 0.79 EGFR (0.60) EGFRALDH1A1MAPTHPGDLMNA
SCHEMBL13278328 0.79 ALDH1A1 (0.57) ALDH1A1PKMGPR55MAPTNPSR1
SCHEMBL11564974 0.79 MAPT (0.54) EGFRALDH1A1PKMGPR55MAPT
SCHEMBL13278326 0.79 ALDH1A1 (0.57) ALDH1A1PKMGPR55MAPTNPSR1
SCHEMBL13090694 0.77 PKM (0.62) EGFRALDH1A1PKMGPR55MAPT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 — — EP claimed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 — — US claimed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 — — US claimed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 — — EP claimed
CN-118287150-A Method for efficiently catalyzing Knoevenagel condensation reaction by porphyrin and quaternary ammonium salt synergistic catalytic system 沈阳药科大学 2024-07-05 — — CN disclosed
CN-114177942-B Catalyst for condensation reaction of aldehyde and malononitrile Knoevenagel and preparation method thereof 兰州大学 2023-05-12 — — CN disclosed
CN-113058653-B Catalyst for Knoevenagel condensation reaction of aldehyde and malononitrile and preparation method thereof 兰州大学 2022-09-16 — — CN disclosed
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 — — EP disclosed
CN-114177942-A Catalyst for Knoevenagel condensation reaction of aldehyde and malononitrile and preparation method thereof 兰州大学 2022-03-15 — — CN disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 — — US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 — — CN disclosed
CN-113058653-A Catalyst for Knoevenagel condensation reaction of aldehyde and malononitrile and preparation method thereof 兰州大学 2021-07-02 — — CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 — — US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 — — EP disclosed
CN-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 — — CN disclosed
US-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2016-06-30 — — US disclosed
EP-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 — — EP disclosed
US-5284868-A Naphthopyran derivatives; for autoimmune diseases, cancer ELI LILLY AND COMPANY (US) 1994-02-08 — — US disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 — — US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 — — 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-20160185753-A1 DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS DCK, DPYD, PDCD1 EGFR 1362/4885ALDH1A1 2610/4885TRPA1 3695/4885

“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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