SCHEMBL3448116

SCHEMBL3448116

CCc1c(Br)cnc(OCCNC(C)=O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
IDO1 P14902 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 2/20 0.34
KDR P35968 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3450020 0.78 MKNK1 (0.33) EGFR
SCHEMBL3451155 0.73 HCAR3 (0.32) MAPK1KDR
SCHEMBL3345833 0.73 CNR2 (0.47) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL15527495 0.72 TSHR (0.34) TSHRHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3448118 0.72 TSHR (0.42) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL15527867 0.70 GABRP (0.33) TSHRHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17363138 0.69 GABRP (0.39) TSHRHSD17B10KDM4E
SCHEMBL3345784 0.67 CNR2 (0.47) TSHRMAPK1HSD17B10MTNR1AMTNR1B
SCHEMBL3448711 0.65 CNR1 (0.40) USP2TSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL28841973 0.65 HCAR2 (0.39) TSHRHSD17B10ALDH1A1KDM4ECYP1A2

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 USP2 4478/4885ALOX15 540/4885TSHR 4310/4885

“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.