SCHEMBL3448118

SCHEMBL3448118

CCc1nc(OCCNC(C)=O)c(C(=O)O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SYK P43405 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36

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
SCHEMBL3450021 0.78 HSD17B10 (0.39) TSHRHSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3345833 0.77 CNR2 (0.47) TSHRHSD17B10USP2ALOX15MAPK1
SCHEMBL15527869 0.75 GABRP (0.50) TSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL3451157 0.73 HSD17B10 (0.38) TSHRHSD17B10MAPK1ALDH1A1KDM4E
SCHEMBL3448116 0.72 USP2 (0.43) TSHRHSD17B10USP2ALOX15MAPK1
SCHEMBL15527496 0.71 GABRP (0.45) TSHRHSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17363140 0.68 GABRP (0.50) TSHRHSD17B10KDM4E
SCHEMBL15528029 0.68 GABRP (0.49) TSHRHSD17B10SMN1; SMN2KDM4E
SCHEMBL6042656 0.66 MTNR1A (0.68) TSHRHSD17B10USP2ALOX15MAPK1
SCHEMBL15527735 0.66 GABRP (0.44) TSHRHSD17B10USP2

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD TSHR 4310/4885HSD17B10 1121/4885USP2 4478/4885

“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.