SCHEMBL26508276

SCHEMBL26508276

CC/C=C\c1ccncc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2B6 P20813 1/20 0.32
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
ALOX5 P09917 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL24492942 0.85 SIRT3 (0.39) SIRT3TDP1CYP2A6CYP2D6CYP2C9
SCHEMBL21803775 0.81 FAAH (0.41) TDP1
SCHEMBL21803777 0.81 FAAH (0.41) TDP1
SCHEMBL22176633 0.79 CCNC (0.33) SIRT3TDP1CCNCCDK8ALOX5
SCHEMBL26480567 0.78
SCHEMBL25946713 0.78
SCHEMBL21881933 0.78 TRPA1 (0.35) SIRT3TDP1TRPA1CYP2A6CYP2D6
SCHEMBL14822507 0.78 TRPA1 (0.35) SIRT3TDP1TRPA1CYP2A6CYP2D6
SCHEMBL25752586 0.76 SIRT3 (0.37) SIRT3TDP1TRPA1CYP2A6CYP2D6
SCHEMBL22641253 0.75 CYP1A2 (0.32) CYP2A6CYP2D6CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 US 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-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, RIPK3 SIRT3 1691/4885TDP1 970/4885TRPA1 3841/4885

“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.