SCHEMBL27440613

SCHEMBL27440613

C=c1n(C)c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)c(=O)n1C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 14/20 0.65
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 2/20 0.47
NLRP3 Q96P20 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ENPP3 O14638 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 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
SCHEMBL27440630 0.87 MEN1 (0.64) KMT2AKDM4ENPSR1MEN1NLRP3
SCHEMBL27440624 0.85 PTGES (0.68) PTGESKMT2AKDM4EHPGDNPSR1
SCHEMBL22260247 0.81 PTGES (0.73) PTGESKMT2AKDM4EHPGDNPSR1
SCHEMBL11245208 0.81 KMT2A (0.72) PTGESKMT2AKDM4EHPGDNPSR1
SCHEMBL22260230 0.79 PTGES (1.00) PTGESKMT2AKDM4EHPGDNPSR1
SCHEMBL22260246 0.79 PTGES (0.70) PTGESKMT2AKDM4EHPGDNPSR1
SCHEMBL22259998 0.79 PTGES (0.70) PTGESKMT2AKDM4EHPGDNPSR1
SCHEMBL27440650 0.78 PTGES (0.51) PTGESKMT2AMEN1NLRP3
SCHEMBL22260235 0.77 PTGES (1.00) PTGESKMT2AKDM4EHPGDNPSR1
SCHEMBL14133150 0.77 PTGES (0.70) PTGESKMT2AKDM4EHPGDNPSR1

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-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 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-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 PTGES 1/4885KMT2A 4205/4885KDM4E 2780/4885

“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.