SCHEMBL20580382

SCHEMBL20580382

O=C(O)NOCCC(O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CNR2 P34972 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GRIN2B Q13224 1/20 0.39
SLC6A4 P31645 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX1 P07099 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL22444835 1.00 HDAC4 (0.43) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL26087473 1.00 HDAC4 (0.43) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL20580231 0.84 BCAT2 (0.49) KDM4E
SCHEMBL20580230 0.84 BCAT2 (0.49) KDM4E
SCHEMBL29433920 0.83 PNMT (0.56) CES2IDO1TDO2GRIN2BPOLB
SCHEMBL24454657 0.82 CTSS (0.41) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL18921453 0.82 CTSS (0.41) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL29649069 0.82 CTSS (0.41) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL29641349 0.82 CTSS (0.41) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL28700197 0.80 CES2 (0.48) HDAC4HDAC7HDAC5CNR2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037330-B2 Heteroaryl derivative compounds, and uses thereof VORONOI INC. (KR) 2024-07-16 US disclosed
US-20240166640-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2024-05-23 US disclosed
WO-2024106914-A1 HETEROARYL DERIVATIVE COMPOUND, AND USES THEREOF VORONOI INC. (KR) 2024-05-23 WO disclosed
EP-4342895-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-03-27 EP disclosed
US-20240025888-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2024-01-25 US disclosed
WO-2023187471-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF VORONOI INC. (KR) 2023-10-05 WO disclosed
WO-2023068881-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES 주식회사 보로노이바이오 2023-04-27 WO disclosed
WO-2022131741-A1 ISOXAZOLIDINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2022-06-23 WO disclosed
WO-2020190119-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT 주식회사 보로노이 2020-09-24 WO disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) APTUIT (VERONA) S.R.L. (IT) 2018-12-13 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 (5 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-12037330-B2 Heteroaryl derivative compounds, and uses thereof ERBB2, EGFR, ERBB3 HDAC4 2336/4885HDAC7 2084/4885HDAC5 1413/4885
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) RIPK1, RIPK2, RIPK3 HDAC4 2527/4885HDAC7 2246/4885HDAC5 2037/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 HDAC4 2527/4885HDAC7 2246/4885HDAC5 2037/4885
US-20240166640-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF ERBB2, EGFR, ERBB3 HDAC4 2336/4885HDAC7 2084/4885HDAC5 1413/4885
US-20240025888-A1 HETEROARYL DERIVATIVE COMPOUNDS, AND USES THEREOF ERBB2, EGFR, ERBB3 HDAC4 2336/4885HDAC7 2084/4885HDAC5 1413/4885

“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.