SCHEMBL7043705

SCHEMBL7043705

N#CC(C#N)=C1CC(=O)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38
USP47 Q96K76 1/20 0.38
EGFR P00533 3/20 0.34
ACHE P22303 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
MAOB P27338 6/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL30853835 1.00 CA1 (0.39) CA1CA2CA7CA9USP8
SCHEMBL30632305 0.94 CA1 (0.39) CA1CA2CA7CA9USP8
SCHEMBL21795577 0.94 CA1 (0.39) CA1CA2CA7CA9USP8
SCHEMBL7050692 0.86 EGFR (0.38) CA1CA2CA7CA9USP8
SCHEMBL7044981 0.82 EGFR (0.47) CA1CA2CA7CA9USP7
SCHEMBL20042518 0.81 EGFR (0.35) EGFR
SCHEMBL30395802 0.81 EGFR (0.35) EGFR
SCHEMBL24397228 0.81 TDP2 (0.40) EGFRPARP1PARP10
SCHEMBL23515574 0.81 EGFR (0.39) EGFR
SCHEMBL7048653 0.81 KDM4E (0.41) CA1CA2CA7CA9USP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
CN-117903113-A Method for efficiently separating monohalogen substituted cyano-indenone isomer 南京欧纳壹有机光电有限公司 2024-04-19 CN disclosed
EP-3620458-B1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-07-05 EP disclosed
US-20210323974-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE INCLUDING SAME LG CHEM, LTD. (KR) 2021-10-21 US disclosed
US-20200251661-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-08-06 US disclosed
EP-3620458-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-03-11 EP disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 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 (2 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-20200251661-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME ODC1, OR10J3, CYP1A1 CA1 1902/4885CA2 3698/4885CA7 2083/4885
US-20210323974-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE INCLUDING SAME ODC1, AOX1, CYP1A1 CA1 2325/4885CA2 4272/4885CA7 2346/4885

“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.