SCHEMBL4489067

SCHEMBL4489067

CC(C)(C)OC(=O)C=Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.35
KDM1A O60341 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 1/20 0.33
TBXAS1 P24557 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL4489070 0.85 NR1H4 (0.34) NR1H4KDM1AHDAC8HDAC6KDM4E
SCHEMBL13409594 0.82 USP30 (0.34) HDAC6KDM4ERAB9AUSP30CA14
SCHEMBL20153464 0.80 KDM4E (0.38) NR1H4KDM4EKMT2ASMN1; SMN2ESR1
SCHEMBL26698471 0.79 STK17B (0.39) NR1H4KDM4EKMT2ASMN1; SMN2ESR1
SCHEMBL14804139 0.77 USP30 (0.39) KDM4EUSP30ALDH1A1
SCHEMBL6059910 0.76 SSTR4 (0.34) HDAC6USP30CA14ALDH1A1
SCHEMBL1368515 0.75 ESR1 (0.38) NR1H4KDM4EKMT2ASMN1; SMN2ESR1
SCHEMBL31000642 0.75 GABRG2 (0.35) KDM4EUSP30ALDH1A1
SCHEMBL2378220 0.75 SSTR4 (0.36) KDM4ESMN1; SMN2NPC1RAB9AUSP30
SCHEMBL25522851 0.75 USP30 (0.38) KDM4EUSP30ALDH1A1

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
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT NR1H4 1153/4885KDM1A 3536/4885HDAC8 2517/4885

“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.