SCHEMBL29842452

SCHEMBL29842452

CC(C)(C)OC(=O)Cc1cc(OCc2ccccc2)c2ncnn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 2/20 0.38
PTGER1 P34995 1/20 0.38
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 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
SCHEMBL29842213 0.81 KDM4E (0.44) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29842407 0.80 MTNR1A (0.36) MTNR1AMTNR1BTLR9TLR7ALDH1A1
SCHEMBL29842251 0.78 BRD4 (0.43) BRD4SMN1; SMN2POLBCYP2C9PTGER1
SCHEMBL8527666 0.75 SMN1; SMN2 (0.38) BRD4SMN1; SMN2POLBCYP2C9PTGER1
SCHEMBL29842196 0.74 PTGER1 (0.41) SMN1; SMN2PTGER1ALDH1A1MAOB
SCHEMBL29842228 0.72 BRD4 (0.38) BRD4CYP2C9PTGER1MTNR1AMTNR1B
SCHEMBL15055957 0.71 HDAC8 (0.46) BRD4PTGER1MTNR1AMTNR1BRXRA
SCHEMBL15055956 0.71 HDAC8 (0.46) BRD4PTGER1MTNR1AMTNR1BRXRA
SCHEMBL8527782 0.71 CYP2C9 (0.37) BRD4SMN1; SMN2POLBCYP2C9PTGER1
SCHEMBL27520004 0.71 TSHR (0.53) SMN1; SMN2MTNR1AMTNR1BL3MBTL1ALDH1A1

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-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 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-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE TMPRSS15, DPP8, SI BRD4 1003/4885SMN1; SMN2 3260/4885POLB 3583/4885

“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.