SCHEMBL9105849

SCHEMBL9105849

CNc1ncccc1-c1noc(C(Sc2ccc(C)c(C)c2)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.34
MAPT P10636 5/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
S1PR3 Q99500 5/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
S1PR1 P21453 4/20 0.32
S1PR4 O95977 2/20 0.32
S1PR5 Q9H228 2/20 0.32
ALDH1A1 P00352 1/20 0.32
S1PR2 O95136 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) MAPTRAB9ANPC1TP53TSHR
SCHEMBL9102516 0.89 MAPT (0.34) MAPTRAB9ANPC1TP53TSHR
SCHEMBL10040287 0.88 TSHR (0.38) MAPTRAB9ANPC1TP53TSHR
SCHEMBL9102509 0.86 TSHR (0.36) MDM2MAPTRAB9ANPC1TP53
SCHEMBL9103149 0.86 ALDH1A1 (0.32) TSHRSMN1; SMN2MAPK1L3MBTL1ALDH1A1
SCHEMBL9102157 0.86 P4HB (0.34) TSHRSMN1; SMN2MAPK1L3MBTL1ALDH1A1
SCHEMBL9107188 0.81 MAPT (0.45) MAPTRAB9ANPC1TSHRMEN1
SCHEMBL9102453 0.78 SMN1; SMN2 (0.42) MAPTRAB9ANPC1TP53TSHR
SCHEMBL9105671 0.77 TSHR (0.40) MAPTRAB9ANPC1TP53TSHR
SCHEMBL9102515 0.76 SMN1; SMN2 (0.37) MAPTRAB9ANPC1TSHRPOLB

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 14 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 claimed
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
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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 MDM2 4231/4885MAPT 3079/4885RAB9A 3307/4885
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 MDM2 4231/4885MAPT 3079/4885RAB9A 3307/4885

“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.