SCHEMBL3418224

SCHEMBL3418224

N/C(=N/O)c1cccc(Br)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MIF P14174 1/20 0.36
AKT1 P31749 1/20 0.36
KDM1A O60341 1/20 0.34
GFER P55789 2/20 0.33
GRIN2B Q13224 1/20 0.32
CTSL P07711 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
KMT2A Q03164 3/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 1/20 0.31
F10 P00742 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL2133796 1.00 GAA (0.41) GAALMNAL3MBTL1MIFAKT1
SCHEMBL102709 0.80 TSHR (0.50) GAALMNAL3MBTL1GFERGRIN2B
SCHEMBL17737959 0.80 TSHR (0.50) GAALMNAL3MBTL1GFERGRIN2B
SCHEMBL102710 0.80 TSHR (0.50) GAALMNAL3MBTL1GFERGRIN2B
SCHEMBL6473649 0.79 GAA (0.50) GAALMNAL3MBTL1AKT1GFER
SCHEMBL16511729 0.79 GAA (0.50) GAALMNAL3MBTL1AKT1GFER
SCHEMBL3418130 0.77 GAA (0.41) GAALMNAL3MBTL1AKT1KDM1A
SCHEMBL18190484 0.77 GAA (0.41) GAALMNAL3MBTL1AKT1KDM1A
SCHEMBL14837969 0.77 CTSL (0.43) GAALMNAL3MBTL1AKT1KDM1A
SCHEMBL2134100 0.77 GAA (0.41) GAALMNAL3MBTL1AKT1KDM1A

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-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

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 2575/4885LMNA 2907/4885L3MBTL1 4201/4885

“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.