SCHEMBL26752182

SCHEMBL26752182

COC(=O)CC(=O)Nc1c(C)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.45
SCN3A Q9NY46 3/20 0.45
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
CYP3A4 P08684 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL21186773 0.83 ALDH1A1 (0.51) NLRP3MEN1KMT2ALMNAALDH1A1
SCHEMBL28697207 0.81 LMNA (0.51) NLRP3MEN1KMT2ACYP2C9CYP1A2
SCHEMBL22407655 0.81 MAPT (0.51) NLRP3MEN1KMT2ACYP2C9CYP1A2
SCHEMBL18296970 0.81 SMN1; SMN2 (0.53) MEN1KMT2ACYP2C9CYP1A2NFKB1
SCHEMBL19781758 0.80 NLRP3 (0.53) NLRP3MEN1KMT2ACYP2C9CYP1A2
SCHEMBL26752202 0.79 KMT2A (0.46) NLRP3MEN1KMT2ALMNAALDH1A1
SCHEMBL18955464 0.78 ALDH1A1 (0.55) NLRP3MEN1KMT2ACYP2C9CYP1A2
SCHEMBL2032930 0.78 ALDH1A1 (0.59) NLRP3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3598057 0.76 ALDH1A1 (0.50) NLRP3MEN1KMT2ACYP2C9CYP1A2
SCHEMBL20194482 0.76 ALDH1A1 (0.53) NLRP3MEN1KMT2ACYP2C9CYP1A2

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-20230357272-A1 OCTAHYDROPYRAZINODIAZANAPHTHYRIDINE DIONE COMPOUNDS MEDSHINE DISCOVERY INC. (CN) 2023-11-09 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-20230357272-A1 OCTAHYDROPYRAZINODIAZANAPHTHYRIDINE DIONE COMPOUNDS QDPR, SLCO1B3, SLC10A6 NLRP3 3670/4885MEN1 3142/4885KMT2A 4097/4885

“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.