SCHEMBL29330366

SCHEMBL29330366

CC(C)c1n[nH]c(C(C)(C)C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 6/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
DHODH Q02127 2/20 0.32
THRB P10828 1/20 0.30
LMNA P02545 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
SCHEMBL849958 0.73 KDM4E (0.43) GRM5ALDH1A1HTTKDM4EHPGD
SCHEMBL31277728 0.60 KDM4E (0.42) GRM5ALDH1A1HTTKDM4EHPGD
SCHEMBL4759856 0.59 PRKACA (0.41) KDM4EMAPK1POLBGAA
SCHEMBL24610542 0.59 DHODH (0.47) GRM5DHODH
SCHEMBL718065 0.58 PRKACA (0.43) GRM5KDM4EMAPK1POLBGAA
SCHEMBL12565976 0.58
SCHEMBL19214925 0.57 ERBB2 (0.49) PIK3CGHTT
SCHEMBL24126887 0.57 MAP4K1 (0.33)
SCHEMBL5323918 0.56 PIK3CG (0.31) PIK3CG
SCHEMBL553047 0.56 L3MBTL1 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 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-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP GRM5 1372/4885PIK3CG 3000/4885ALDH1A1 4157/4885

“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.