SCHEMBL5509991

SCHEMBL5509991

CCC(=O)[N]c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
PKM P14618 1/20 0.46
SLC6A2 P23975 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
NR4A2 P43354 1/20 0.44
CREBBP Q92793 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
STAT3 P40763 1/20 0.44
HSD17B10 Q99714 1/20 0.44
STING1 Q86WV6 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL5513939 0.80 PKM (0.46) PBRM1GPR84PKMNR4A2CREBBP
SCHEMBL3456817 0.80 GPR84 (0.52) PBRM1GPR84SLC6A2FNTAFNTB
SCHEMBL5515060 0.78 ALDH1A1 (0.56) PBRM1GPR84NR4A2CREBBPSLC22A6
SCHEMBL5513161 0.75 GPR84 (0.44) PBRM1GPR84PKMSLC22A6HSD17B10
SCHEMBL5514930 0.74 GPR84 (0.49) GPR84SLC6A2HSD17B10ALDH1A1ATM
SCHEMBL4172132 0.71 SIGMAR1 (0.43) NR4A2HSD17B10ALDH1A1MAPTMEN1
SCHEMBL1903034 0.71 ADAM17 (0.66) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL7363256 0.71 HPGD (0.48) PBRM1GPR84NR4A2CREBBPSTAT3
SCHEMBL724284 0.71 ATM (0.54) PBRM1GPR84SLC6A2HSD17B10ALDH1A1
Propionic Acid SCHEMBL29127028 0.70 ATM (0.69) PBRM1GPR84PKMALDH1A1ATM

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-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 PBRM1 3323/4885GPR84 1015/4885PKM 1243/4885

“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.