SCHEMBL9102515

SCHEMBL9102515

CNc1ncccc1-c1noc(C(Sc2ccc(OC)cc2)c2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
PTPN1 P18031 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SYK P43405 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL9107188 0.91 MAPT (0.45) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9104968 0.85 MAPT (0.38) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9102453 0.84 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9105671 0.82 TSHR (0.40) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9103306 0.80 MAPT (0.41) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9106492 0.79 MAPT (0.38) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9102493 0.78 MAPT (0.44) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9105382 0.77 MAPT (0.37) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9102516 0.76 MAPT (0.34) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL9105849 0.76 MDM2 (0.34) SMN1; SMN2RAB9ANPC1MAPTPOLB

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 15 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-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP claimed
WO-2012074718-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO 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
EP-2646026-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP 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 SMN1; SMN2 2926/4885RAB9A 3307/4885NPC1 644/4885
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 SMN1; SMN2 2926/4885RAB9A 3307/4885NPC1 644/4885

“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.