SCHEMBL13499294

SCHEMBL13499294

CS(=O)(=O)OCCn1cnn(-c2ccc(Br)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
ROCK2 O75116 11/20 0.35
NPBWR1 P48145 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL13499426 0.78 NPC1 (0.35) RXFP1ROCK2MEN1KMT2ARAB9A
SCHEMBL13499291 0.77 PPARA (0.43) RXFP1ROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL13499303 0.76 RXFP1 (0.35) RXFP1LMNAGSK3AGSK3BALDH1A1
SCHEMBL8686220 0.74 ROCK2 (0.40) RXFP1ROCK2NPBWR1MEN1KMT2A
SCHEMBL16277538 0.72 ROCK2 (0.37) RXFP1ROCK2NPBWR1MEN1KMT2A
SCHEMBL27268519 0.71 GSK3A (0.42) RXFP1NPBWR1MEN1KMT2ARAB9A
SCHEMBL13499292 0.69 DRD4 (0.46) RXFP1ROCK2
SCHEMBL19643893 0.69 ROCK2 (0.62) RXFP1ROCK2MEN1KMT2ARAB9A
SCHEMBL7460071 0.68 PTGDR2 (0.36) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL11664438 0.65 NPC1 (0.49) ROCK2NPBWR1MEN1KMT2ARAB9A

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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 RXFP1 2528/4885ROCK2 1869/4885NPBWR1 1197/4885

“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.