SCHEMBL20759673

SCHEMBL20759673

C#CN(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
BRD4 O60885 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
PAX8 Q06710 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
Thiophene SCHEMBL28859237 0.91 PAX8 (0.34) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL731186 0.80 ITGA4 (0.38) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL28506622 0.80 NPSR1 (0.39) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL504005 0.77 L3MBTL1 (0.55) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL8736767 0.77 MEN1 (0.43) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL3799516 0.77 L3MBTL1 (0.36) MEN1KMT2ANPSR1RAB9ACYP2C9
SCHEMBL23113822 0.76 MEN1 (0.45) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL29903353 0.76 CHRM4 (0.36) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL7200107 0.75 RAB9A (0.57) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL7363893 0.75 KDM4E (0.45) MEN1KMT2ANPSR1RAB9ACYP3A4

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
CN-115043788-A Trifluoromethyl oxazole-2-ketone compound and preparation method and application thereof 南京工业大学 2022-09-13 CN disclosed
US-11174226-B2 Azetidinimines as carbapenemases inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-11-16 US disclosed
US-20190055194-A1 Azetidinimines as Carbapenemases Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-02-21 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 (2 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-11174226-B2 Azetidinimines as carbapenemases inhibitors OXA1L, QDPR, PADI1 MEN1 944/4885KMT2A 1596/4885NPSR1 3223/4885
US-20190055194-A1 Azetidinimines as Carbapenemases Inhibitors OXA1L, QDPR, PADI1 MEN1 944/4885KMT2A 1596/4885NPSR1 3223/4885

“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.