SCHEMBL24469641

SCHEMBL24469641

Nc1ccc(Cl)c2c1C(=O)N(CC1CC1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.38
GRM2 Q14416 2/20 0.36
KCNH2 Q12809 1/20 0.36
PARP2 Q9UGN5 2/20 0.34
DRD2 P14416 1/20 0.34
ADORA2A P29274 1/20 0.33
DPP4 P27487 1/20 0.33
NR1I2 O75469 1/20 0.32
UGCG Q16739 1/20 0.32
CLPP Q16740 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
TRPC5 Q9UL62 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 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
SCHEMBL30830155 1.00 PARP1 (0.38) PARP1GRM2KCNH2PARP2DRD2
SCHEMBL18885945 0.78 HTT (0.43) PARP1PARP2ADORA2ADPP4MEN1
SCHEMBL18878163 0.77 DPP4 (0.43) PARP1PARP2ADORA2ADPP4MEN1
SCHEMBL24469636 0.74 PARP1 (0.56) PARP1PARP2NR1I2UGCG
SCHEMBL24469666 0.72 PARP1 (0.41) PARP1GRM2KCNH2PARP2DRD2
SCHEMBL18882839 0.72 ADORA2A (0.39) ADORA2AMEN1ALDH1A1CYP3A4KMT2A
SCHEMBL18863190 0.70 DPP4 (0.31) PARP1PARP2DPP4CYP3A4
SCHEMBL18863313 0.70
SCHEMBL18863330 0.70 KAT2B (0.40) PARP1PARP2MEN1ALDH1A1KMT2A
SCHEMBL2023194 0.69 PARP1 (0.40) PARP1GRM2KCNH2PARP2DRD2

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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 PARP1 2154/4885GRM2 3139/4885KCNH2 2453/4885

“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.