SCHEMBL9104968

SCHEMBL9104968

CNc1ncccc1-c1noc(C(Sc2ccc(C)c(C)c2)c2ccc(Cl)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
LCK P06239 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
TEK Q02763 1/20 0.32

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
SCHEMBL10040287 0.92 TSHR (0.38) MAPTSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL9102516 0.91 MAPT (0.34) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL9105849 0.91 MDM2 (0.34) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL9107188 0.91 MAPT (0.45) MAPTPOLBSMN1; SMN2RAB9AKDM4E
SCHEMBL9102509 0.86 TSHR (0.36) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL9103149 0.85 ALDH1A1 (0.32) SMN1; SMN2TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL9102157 0.85 P4HB (0.34) SMN1; SMN2TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL9103306 0.85 MAPT (0.41) MAPTPOLBSMN1; SMN2RAB9AKDM4E
SCHEMBL9102515 0.85 SMN1; SMN2 (0.37) MAPTPOLBSMN1; SMN2RAB9AKDM4E
SCHEMBL9102453 0.82 SMN1; SMN2 (0.42) MAPTPOLBSMN1; SMN2RAB9ANPC1

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 11 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
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.