SCHEMBL22853068

SCHEMBL22853068

COCc1cc(I)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
POLB P06746 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
LRRK2 Q5S007 1/20 0.33
LMNA P02545 1/20 0.33
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL15912734 0.77 HSP90AB1 (0.51) KDM4EALDH1A1TDP1SMN1; SMN2GAA
SCHEMBL4259972 0.77 NPC1 (0.38) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL10617676 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3511353 0.74 HRH3 (0.41) KDM4EALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL2725516 0.71
SCHEMBL8348964 0.69 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2PIK3CA
SCHEMBL12268332 0.69 HRH4 (0.47) ALDH1A1SMN1; SMN2HRH3
SCHEMBL14204975 0.68 TPMT (0.39) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL602693 0.67 HRH3 (0.71) HRH3
SCHEMBL604484 0.67 HRH4 (0.67) HRH3

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-11377464-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2022-07-05 US disclosed
US-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2020-12-31 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 (2 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-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 KDM4E 3342/4885ALDH1A1 1785/4885HPGD 3116/4885
US-11377464-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 KDM4E 3155/4885ALDH1A1 1974/4885HPGD 2838/4885

“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.