SCHEMBL23583191

SCHEMBL23583191

CC(=O)N[C@]1(C)[C@@H]2CCC[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
BCHE P06276 3/20 0.43
MAOB P27338 3/20 0.43
FUCA1 P04066 2/20 0.42
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL12078989 0.95 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL21737963 0.95 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL12078991 0.95 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL21797227 0.95 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL23583190 0.79 FUCA1 (0.50) KDM4EALDH1A1KMT2AMEN1S1PR1
SCHEMBL9177398 0.75 CYP2D6 (0.42) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL38609 0.74 GRIN2B (0.42) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL15908954 0.74 GRIN2B (0.42) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL37731 0.74 GRIN2B (0.42) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL9838655 0.73 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AMEN1RAB9A

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-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 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-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 KDM4E 413/4885ALDH1A1 2000/4885KMT2A 683/4885

“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.