SCHEMBL9107911

SCHEMBL9107911

Cc1ccc(OC(=O)Cc2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
F2 P00734 1/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 4/20 0.48
MAOA P21397 3/20 0.48
ALOX5 P09917 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTBP2 P56545 1/20 0.47
CSNK1D P48730 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ANO1 Q5XXA6 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
SCHEMBL9108360 0.89 KMT2A (0.54) MAOBMAOAALOX5KMT2ACTBP2
SCHEMBL789755 0.81 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AL3MBTL1
SCHEMBL22511027 0.81 FFAR1 (0.52) KMT2A
SCHEMBL7964074 0.79 L3MBTL1 (0.62) NPC1RAB9AKMT2AL3MBTL1
SCHEMBL22510800 0.79 HCAR2 (0.49) CTBP2RXRARXRBRXRG
SCHEMBL406058 0.78 MAOB (0.58) SMN1; SMN2MAOBALOX5KMT2ACTBP2
SCHEMBL378633 0.78 SLC7A5 (0.55) SMN1; SMN2MAOBMAOAKMT2ACTBP2
SCHEMBL31225894 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MAOBMAOAALOX5KMT2A
SCHEMBL26426051 0.76 TDP1 (0.60) SMN1; SMN2NPC1RAB9AMAOBMAOA
SCHEMBL31244291 0.76 CTBP2 (0.56) SMN1; SMN2MAOBMAOAKMT2ACTBP2

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
EP-2646026-B1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-8618139-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-31 US disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 SMN1; SMN2 2926/4885NPC1 644/4885F2 4418/4885
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 SMN1; SMN2 2926/4885NPC1 644/4885F2 4418/4885

“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.