SCHEMBL31238628

SCHEMBL31238628

O=C(O)CCCNC(=O)Cn1ccc2cc(Br)ccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 2/20 0.56
KRAS P01116 6/20 0.52
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
TERT O14746 2/20 0.42
IDO1 P14902 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL31238612 0.93 NTSR1 (0.58) NTSR1KRASPSMB1PSMB5HTR2A
SCHEMBL23631648 0.85 NTSR1 (0.60) NTSR1KRASPSMB1PSMB5HTR2A
SCHEMBL31238626 0.82 KMT2A (0.61) NTSR1TERTIDO1ATMKDM4E
SCHEMBL416378 0.80 ALOX5 (0.49) NTSR1KRASHTR2AHTR2C
SCHEMBL418013 0.80 KMT2A (0.60) NTSR1KRASHTR2AHTR2C
SCHEMBL19100386 0.77 KMO (0.56) NTSR1KRASHTR2AHTR2CLMNA
SCHEMBL29758270 0.77 KMO (0.56) NTSR1KRASHTR2AHTR2CLMNA
SCHEMBL23631602 0.74 KDM4E (0.48) NTSR1KRASPSMB1PSMB5KDM4E
SCHEMBL24480089 0.73 ALDH1A1 (0.62) NTSR1KRASLMNAKDM4EPOLB
SCHEMBL2008953 0.73 HTR2A (0.55) NTSR1KRASHTR2AHTR2CLMNA

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 NTSR1 2847/4885KRAS 2801/4885PSMB1 950/4885

“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.