SCHEMBL26527290

SCHEMBL26527290

Cc1cnc2c(NC(=O)C3CC3)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(F)C(N)=O)C(F)(F)F)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
ABL1 P00519 11/20 0.32
GABRA5 P31644 2/20 0.31
GSK3B P49841 2/20 0.31
MAPK14 Q16539 1/20 0.31
HDAC3 O15379 1/20 0.30
CFTR P13569 2/20 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
SCHEMBL24985902 0.93 HDAC1 (0.33) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL24985899 0.93 HDAC1 (0.33) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL26527289 0.92 GABRA5 (0.31) ABL1GABRA5MAPK14
SCHEMBL25116420 0.92 HDAC1 (0.32) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL25115558 0.92 ABL1 (0.33) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL25115565 0.92 ABL1 (0.33) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL25116228 0.92 HDAC1 (0.32) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL25116022 0.92 HDAC1 (0.32) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL25117180 0.92 HDAC1 (0.32) HDAC1HDAC2ABL1GABRA5GSK3B
SCHEMBL25115598 0.91 HDAC1 (0.32) HDAC1HDAC2ABL1GABRA5GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 HDAC1 996/4885HDAC2 857/4885ABL1 1547/4885

“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.