SCHEMBL25837827

SCHEMBL25837827

O=C(O)c1ncc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
KMO O15229 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SLC9A1 P19634 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
FAAH O00519 4/20 0.46
CES1 P23141 1/20 0.46
IP6K1 Q92551 1/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
XDH P47989 1/20 0.45
PIN1 Q13526 1/20 0.45
SRD5A2 P31213 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30370526 0.88 HDAC1 (0.56) HDAC1HDAC6KMOALDH1A1KDM4E
Lithium Ion SCHEMBL28971350 0.86 HDAC1 (0.55) HDAC1HDAC6KMOALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL30370195 0.86 HDAC1 (0.53) HDAC1HDAC6KMOALDH1A1KDM4E
SCHEMBL31301323 0.82 HDAC1 (0.54) HDAC1HDAC6FAAHCES1SRD5A2
SCHEMBL24072836 0.81 HDAC1 (0.53) HDAC1HDAC6ALDH1A1KDM4ECYP1A2
SCHEMBL12171873 0.81 MEN1 (0.51) HDAC1HDAC6KMOALDH1A1KDM4E
SCHEMBL12171593 0.81 NPC1 (0.54) HDAC1HDAC6KMOALDH1A1KDM4E
SCHEMBL11387632 0.80 KMT2A (0.59) HDAC1HDAC6KMOALDH1A1KDM4E
Lithium SCHEMBL30975781 0.79 FAAH (0.47) HDAC1HDAC6FAAH
SCHEMBL29268903 0.79 PRKDC (0.47) HDAC1HDAC6FAAH

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-20230219939-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LIMITED (GB) 2023-07-13 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-20230219939-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION USP30, UQCRC1, NDUFAF1 HDAC1 358/4885HDAC6 356/4885KMO 3246/4885

“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.