SCHEMBL31724329

SCHEMBL31724329

CC(C)(C)OC(=O)NCC(N)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
CYP3A4 P08684 3/20 0.47
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PCSK9 Q8NBP7 1/20 0.42
ADORA2B P29275 1/20 0.42
LMNA P02545 1/20 0.41
BCDIN3D Q7Z5W3 1/20 0.41
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL16364176 0.86 NAMPT (0.49) NAMPTCYP3A4RAB9AALDH1A1KDM4E
SCHEMBL29873862 0.86 NAMPT (0.49) NAMPTCYP3A4RAB9AALDH1A1KDM4E
SCHEMBL23367226 0.86 NAMPT (0.49) NAMPTCYP3A4RAB9AALDH1A1KDM4E
SCHEMBL2727399 0.84 CTSK (0.51) RAB9AMEN1KMT2ASYKMAPT
SCHEMBL1624872 0.84 CTSK (0.51) RAB9AMEN1KMT2ASYKMAPT
SCHEMBL3640547 0.84 CTSK (0.51) RAB9AMEN1KMT2ASYKMAPT
SCHEMBL6470600 0.84 NAMPT (0.47) NAMPTCYP3A4RAB9AALDH1A1KDM4E
SCHEMBL17506164 0.84 NAMPT (0.47) NAMPTCYP3A4RAB9AALDH1A1KDM4E
SCHEMBL30771230 0.84 NAMPT (0.47) NAMPTCYP3A4RAB9AALDH1A1KDM4E
SCHEMBL31724149 0.82 ALDH1A1 (0.47) NAMPTCYP3A4RAB9AALDH1A1KDM4E

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-20250346616-A1 ROCK INHIBITORS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2025-11-13 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-20250346616-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, RHOA NAMPT 1648/4885CYP3A4 3304/4885RAB9A 147/4885

“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.