SCHEMBL30309013

SCHEMBL30309013

O=c1n(CC(F)(F)F)nc(Cc2c(F)cccc2Cl)n1CC1CCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ALOX15 P16050 3/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30309029 0.90 P2RX7 (0.38) LMNAALDH1A1ADORA2AADORA2BKMT2A
SCHEMBL30309014 0.85 ALOX15 (0.40) LMNAALDH1A1ALOX15CASP1BRCA1
SCHEMBL30309020 0.85 ALDH1A1 (0.43) LMNAALDH1A1KDM4EALOX15CASP1
SCHEMBL30309028 0.85 HTR2A (0.40) ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL30309025 0.85 HTR2A (0.40) ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL29195852 0.85 ADORA2A (0.43) LMNAALDH1A1KDM4EADORA2AADORA2B
SCHEMBL29195836 0.85 ADORA2A (0.43) LMNAALDH1A1KDM4EADORA2AADORA2B
SCHEMBL29195781 0.83 ADORA2A (0.39) LMNAALDH1A1ADORA2AADORA2BALOX15
SCHEMBL29195755 0.80 ALDH1A1 (0.39) LMNAALDH1A1KDM4EADORA2AADORA2B
SCHEMBL20548470 0.79 P2RX7 (0.44) LMNAALDH1A1KDM4EADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists BREYE THERAPEUTICS APS (DK) 2024-11-07 — — US disclosed
EP-4396181-A1 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P2X7 ANTAGONISTS Breye Therapeutics ApS (DK) 2024-07-10 — — EP disclosed
WO-2023031319-A1 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P2X7 ANTAGONISTS AXXAM S.P.A. (IT) 2023-03-09 — — WO 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-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists P2RX3, P2RX7, P2RX2 LMNA 1788/4885ALDH1A1 1602/4885KDM4E 4268/4885

“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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