SCHEMBL9102516

SCHEMBL9102516

CNc1ncccc1-c1noc(C(Sc2ccc(C)c(C)c2)c2cccc(Cl)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
TP53 P04637 2/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
S1PR3 Q99500 1/20 0.30
GRM5 P41594 2/20 0.30
HPGD P15428 1/20 0.30
MITF O75030 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL9104968 0.91 MAPT (0.38) MAPTPOLBSMN1; SMN2TP53AURKA
SCHEMBL10040287 0.90 TSHR (0.38) MAPTSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL9102157 0.89 P4HB (0.34) SMN1; SMN2ALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL9105849 0.89 MDM2 (0.34) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL9103149 0.89 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL9102509 0.85 TSHR (0.36) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL9104713 0.83 MAPT (0.34) MAPTPOLBSMN1; SMN2TP53AURKA
SCHEMBL9107188 0.81 MAPT (0.45) MAPTPOLBSMN1; SMN2ALDH1A1TSHR
SCHEMBL9102524 0.81 TP53 (0.42) MAPTPOLBSMN1; SMN2TP53AURKA
SCHEMBL9105461 0.80 MAPT (0.40) MAPTPOLBSMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US claimed
US-8618139-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-31 US claimed
EP-2646026-B1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
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-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US 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
WO-2012074718-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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 MAPT 3079/4885POLB 4375/4885SMN1; SMN2 2926/4885
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 MAPT 3079/4885POLB 4375/4885SMN1; SMN2 2926/4885

“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.