SCHEMBL30099079

SCHEMBL30099079

O=C(O)C1CN(CO)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.41
ALDH1A1 P00352 1/20 0.37
CACNA1G O43497 10/20 0.37
CACNA1H O95180 10/20 0.37
CACNA1I Q9P0X4 10/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
LTA4H P09960 1/20 0.36
BRD4 O60885 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL10908636 0.80 ALDH1A1 (0.43) NOTUMALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL13632458 0.79 DRD2 (0.49) CACNA1GCACNA1HCACNA1IBRD4SIRT1
SCHEMBL21938738 0.77 NOTUM (0.41) NOTUMALDH1A1CASP1CASP7LTA4H
SCHEMBL31378007 0.76 NOTUM (0.51) NOTUMALDH1A1CACNA1GCASP1CASP7
SCHEMBL30099061 0.76 NOTUM (0.47) NOTUMALDH1A1CASP1CASP7
SCHEMBL11984354 0.73 CACNA1G (0.43) NOTUMCACNA1GCACNA1HCACNA1ICASP1
SCHEMBL3750926 0.72 NOTUM (0.44) NOTUMALDH1A1CASP1CASP7
SCHEMBL31322157 0.71 L3MBTL1 (0.44) ALDH1A1LTA4H
SCHEMBL14819922 0.70 SIRT1 (0.54) CACNA1GCACNA1HCACNA1IBRD4SIRT1
SCHEMBL10899742 0.70 NOTUM (0.45) NOTUMALDH1A1

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-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 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 (2 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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 NOTUM 4645/4885ALDH1A1 3619/4885CACNA1G 4269/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 NOTUM 2494/4885ALDH1A1 3740/4885CACNA1G 4798/4885

“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.