SCHEMBL31238626

SCHEMBL31238626

O=C(O)CCCNC(=O)Cn1ccc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
TERT O14746 2/20 0.58
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.51
NTSR1 P30989 1/20 0.51
IDO1 P14902 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL6138108 0.83 KMT2A (0.69) KMT2AHSD17B10MAPK1NTSR1IDO1
SCHEMBL12605550 0.83 KMT2A (0.59) KMT2AHSD17B10MAPK1NTSR1IDO1
SCHEMBL31238628 0.82 NTSR1 (0.56) TERTATMNTSR1IDO1KDM4E
SCHEMBL31602786 0.81 KMT2A (0.65) KMT2AHSD17B10MAPK1NTSR1IDO1
SCHEMBL1967792 0.78 CDK4 (0.68) KMT2ATERTHSD17B10MAPK1
SCHEMBL29560163 0.78 CDK4 (0.68) KMT2ATERTHSD17B10MAPK1
SCHEMBL1598786 0.77 KMT2A (1.00) KMT2AHSD17B10MAPK1NTSR1KDM4E
SCHEMBL29420405 0.77 KMT2A (1.00) KMT2AHSD17B10MAPK1NTSR1KDM4E
SCHEMBL1269116 0.77 CDK4 (0.71) KMT2ATERTHSD17B10MAPK1
SCHEMBL3307080 0.77 KMT2A (0.68) KMT2AHSD17B10MAPK1NTSR1IDO1

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-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2024-11-07 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-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NLRP3, NLRP1, NOD1 KMT2A 4759/4885TERT 4384/4885HSD17B10 2407/4885

“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.