SCHEMBL5513161

SCHEMBL5513161

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
AHR P35869 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
FFAR1 O14842 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CYP19A1 P11511 1/20 0.40
PKM P14618 1/20 0.40
CYP2D6 P10635 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
SCHEMBL25030798 0.78 HTR2A (0.44) GPR84MEN1KMT2ATP53RXFP1
SCHEMBL5509991 0.75 PBRM1 (0.47) GPR84MEN1KMT2AATMMAPT
SCHEMBL5514930 0.75 GPR84 (0.49) GPR84MEN1KMT2AATMMAPT
SCHEMBL15416652 0.74 ALDH1A1 (0.54) GPR84MEN1KMT2ATP53RXFP1
SCHEMBL30897273 0.74 ALDH1A1 (0.54) GPR84MEN1KMT2ATP53RXFP1
SCHEMBL23853970 0.73 ATM (0.43) GPR84MEN1KMT2AATMMAPT
SCHEMBL7363256 0.72 HPGD (0.48) GPR84MEN1KMT2AATMMAPT
SCHEMBL724284 0.72 ATM (0.54) GPR84MEN1KMT2AATMMAPT
SCHEMBL19559085 0.72 GPR84 (0.49) GPR84MEN1KMT2ATP53RXFP1
SCHEMBL6382915 0.70 TDP1 (0.43) MEN1KMT2ATP53MAPTCYP3A4

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 GPR84 1015/4885MEN1 4787/4885KMT2A 3923/4885

“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.