SCHEMBL3418130

SCHEMBL3418130

Cc1c(Br)cccc1/C(N)=N\O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
AKT1 P31749 1/20 0.36
KDM1A O60341 2/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CTSL P07711 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2134100 1.00 GAA (0.41) GAAL3MBTL1LMNAAKT1KDM1A
SCHEMBL18190484 1.00 GAA (0.41) GAAL3MBTL1LMNAAKT1KDM1A
SCHEMBL102965 0.80 LMNA (0.43) GAAL3MBTL1LMNAALDH1A1HPGD
SCHEMBL102966 0.80 LMNA (0.43) GAAL3MBTL1LMNAALDH1A1HPGD
SCHEMBL6473649 0.79 GAA (0.50) GAAL3MBTL1LMNAAKT1CASP3
SCHEMBL16511729 0.79 GAA (0.50) GAAL3MBTL1LMNAAKT1CASP3
SCHEMBL3415796 0.78 TRPA1 (0.45) GAAL3MBTL1LMNAKDM1AALDH1A1
SCHEMBL2134045 0.78 TRPA1 (0.45) GAAL3MBTL1LMNAKDM1AALDH1A1
SCHEMBL27384246 0.78 CYP3A4 (0.50) GAAL3MBTL1LMNAAKT1CASP3
SCHEMBL17738057 0.77 ALDH1A1 (0.45) GAAL3MBTL1LMNAALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 GAA 2575/4885L3MBTL1 4201/4885LMNA 2907/4885

“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.