SCHEMBL27422299

SCHEMBL27422299

CC(C)C(=O)CC(=O)N1Cc2ccccc2-c2nnn(C(C)C)c2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
TOP2A P11388 1/20 0.35
HSD17B3 P37058 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAP3K5 Q99683 1/20 0.33
GRM7 Q14831 1/20 0.33
GAA P10253 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
SCHEMBL27422296 0.96 KDM4E (0.36) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9
SCHEMBL23962032 0.92 TSHR (0.38) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9
SCHEMBL19387290 0.89 KDM4E (0.48) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9
SCHEMBL27422338 0.88 GRM7 (0.43) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9
SCHEMBL23961925 0.88 TSHR (0.38) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9
SCHEMBL20758286 0.87 ALDH1A1 (0.39) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9
SCHEMBL23961987 0.87 LMNA (0.35) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9
SCHEMBL20223535 0.87 TP53 (0.33) SMN1; SMN2ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL22512575 0.87 HSD17B3 (0.48) KDM4EALDH1A1CYP2C9HSD17B3LMNA
SCHEMBL23192062 0.86 NOTUM (0.36) KDM4ESMN1; SMN2HTTALDH1A1CYP2C9

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R KDM4E 4391/4885SMN1; SMN2 3733/4885HTT 3360/4885

“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.