SCHEMBL24027136

SCHEMBL24027136

CC(C)(C)N1CC(C(=O)NCCC#N)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
JAK1 P23458 3/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
HSD17B10 Q99714 4/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
TYK2 P29597 1/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32
MEN1 O00255 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NAAA Q02083 1/20 0.30
CHRNB2 P17787 1/20 0.30

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
SCHEMBL26309093 0.76 BCHE (0.41) MAPTHSD17B10ATMSMN1; SMN2DPP4
SCHEMBL3566677 0.76 KMT2A (0.44) MAPTJAK1JAK2JAK3HSD17B10
SCHEMBL12312920 0.75 MTNR1A (0.36) HSD17B10ATMSMN1; SMN2MEN1CYP2C19
SCHEMBL12312726 0.75 EPHX2 (0.41) HSD17B10ATMSMN1; SMN2TSHRCHRNB2
SCHEMBL21569667 0.74 LMNA (0.40) HSD17B10MEN1KMT2ANAAA
SCHEMBL6183015 0.73 CTSB (0.50) MAPTJAK1JAK2JAK3HSD17B10
SCHEMBL21806279 0.73 CHRNB2 (0.42) MAPTJAK1JAK2JAK3HSD17B10
SCHEMBL14126571 0.73 ATM (0.35) MAPTHSD17B10ATMSMN1; SMN2TSHR
SCHEMBL3456296 0.71 NAAA (0.53) MAPTJAK1JAK2JAK3HSD17B10
SCHEMBL20994692 0.70 ATM (0.42) HSD17B10ATMSMN1; SMN2DPP4TSHR

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-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-11-18 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-20210355115-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF SLC26A4, ALDH5A1, SLC8B1 MAPT 3010/4885JAK1 2522/4885JAK2 1527/4885

“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.