SCHEMBL31032995

SCHEMBL31032995

COC(=O)c1ccc(Cl)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA3 P34903 4/20 0.47
BRD4 O60885 2/20 0.45
ABL1 P00519 1/20 0.45
GAA P10253 3/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
GLA P06280 2/20 0.42
LMNA P02545 3/20 0.42
GABRA2 P47869 3/20 0.41
GABRA5 P31644 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 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
SCHEMBL5231392 0.80 MYC (0.49) GABRA1GABRG2GABRB3GABRA3BRD4
SCHEMBL3048628 0.76 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA3BRD4
SCHEMBL1277532 0.76 NPC1 (0.46) ABL1GAAKDM4EALDH1A1GLA
SCHEMBL391606 0.75 ABL1 (0.49) GABRA1GABRG2GABRB3GABRA3BRD4
SCHEMBL3045673 0.75 RAB9A (0.51) GABRA1GABRG2GABRB3GABRA3BRD4
SCHEMBL25148606 0.73 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3BRD4
SCHEMBL523584 0.72 ABL1 (0.57) ABL1GAAKDM4EALDH1A1GLA
SCHEMBL15050905 0.70 ABL1 (0.47) GABRA1GABRG2GABRB3GABRA3ABL1
SCHEMBL30365014 0.70 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA3BRD4
SCHEMBL18529851 0.69 MAPT (0.51) ABL1GAAKDM4EALDH1A1GLA

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-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-10-17 US disclosed
WO-2024178127-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-08-29 WO 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-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 GABRA1 2943/4885GABRG2 3051/4885GABRB3 2640/4885

“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.