SCHEMBL3038829

SCHEMBL3038829

Sc1snnc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 6/20 0.49
LMNA P02545 5/20 0.49
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 4/20 0.46
ALDH1A1 P00352 4/20 0.45
TDO2 P48775 1/20 0.44
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
CASP6 P55212 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42

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
SCHEMBL29163625 0.81 KDM4E (0.47) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL27762440 0.76 CYP1A2 (0.46) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL170710 0.76 TDO2 (0.61) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL9563862 0.74 TDO2 (0.59) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL2357769 0.74 L3MBTL1 (0.53) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL544517 0.74 MKNK1 (0.59) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL12788076 0.74 LMNA (0.50) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL9168467 0.74 LMNA (0.50) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL19026193 0.74 NPSR1 (0.50) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL367037 0.74 TDO2 (0.59) KDM4EGAAL3MBTL1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759370-B2 Sphingosine-1-phosphate (SIP) receptor agonists Praecis Pharmaceuticals (US) 2010-07-20 US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 US disclosed
EP-2046746-A2 CHEMICAL COMPOUNDS Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 US disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
CN-1143962-A Triazole compound and processes for preparation thereof YUHAN CORP (KR) 1997-02-26 CN 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-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example S1PR1, S1PR2, S1PR5 KDM4E 1586/4885GAA 4213/4885L3MBTL1 3266/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 KDM4E 3445/4885GAA 3602/4885L3MBTL1 3889/4885

“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.