SCHEMBL2136395

SCHEMBL2136395

CCc1cc(OCCCNC)ccc1Br

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
KDM4E B2RXH2 6/20 0.50
POLB P06746 1/20 0.50
HTR1B P28222 2/20 0.49
ALDH1A1 P00352 3/20 0.45
NSD2 O96028 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
HTR1D P28221 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PDK2 Q15119 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
P4HB P07237 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13652565 0.85 CA12 (0.47) L3MBTL1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL14066770 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EPOLBHTR1BALDH1A1
SCHEMBL2133555 0.82 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL22483601 0.82 CA12 (0.47) L3MBTL1KDM4EHTR1BALDH1A1LMNA
SCHEMBL31111406 0.81 L3MBTL1 (0.50) L3MBTL1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL20232434 0.80 L3MBTL1 (0.61) L3MBTL1KDM4EPOLBHTR1BALDH1A1
SCHEMBL2721920 0.79 L3MBTL1 (0.49) L3MBTL1KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL21113937 0.75 L3MBTL1 (0.51) L3MBTL1KDM4EPOLBHTR1BALDH1A1
SCHEMBL21113978 0.74 L3MBTL1 (0.50) L3MBTL1KDM4EPOLBHTR1BALDH1A1
SCHEMBL21113958 0.74 L3MBTL1 (0.50) L3MBTL1KDM4EPOLBHTR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
WO-2010148650-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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 L3MBTL1 4201/4885KDM4E 3897/4885POLB 3766/4885

“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.