SCHEMBL2553317

SCHEMBL2553317

CC(C)(C)OC(=O)NCc1cc(C=O)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
IDO1 P14902 2/20 0.41
TSHR P16473 3/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
KCNA5 P22460 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MIF P14174 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL28896280 0.87 TSHR (0.36) KDM4AIDO1TSHRALDH1A1POLB
SCHEMBL12206651 0.86 KDM4E (0.42) KDM4AIDO1TSHRGAAPOLB
SCHEMBL31420797 0.85 EGFR (0.43) KDM4AHDAC10HDAC6ALDH1A1POLB
SCHEMBL12206607 0.84 KDM4A (0.41) KDM4AIDO1HDAC10HDAC6ALDH1A1
SCHEMBL2522260 0.84 NPC1 (0.42) KDM4AHDAC10HDAC6ALDH1A1GAA
SCHEMBL5413105 0.84 EPHX2 (0.48) KDM4AIDO1TSHRHDAC10HDAC6
SCHEMBL27988801 0.83 IDO1 (0.53) KDM4AIDO1TSHRALDH1A1GAA
SCHEMBL4339307 0.83 KDM4E (0.49) KDM4ATSHRALDH1A1POLBMEN1
SCHEMBL12480602 0.82 IDO1 (0.40) KDM4AIDO1TSHRHDAC10HDAC6
SCHEMBL2520675 0.81 AAK1 (0.46) KDM4AIDO1TSHRHDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 WO disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 US disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 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-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES CYP4X1, COL1A1, RDX KDM4A 1421/4885IDO1 276/4885TSHR 674/4885

“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.