SCHEMBL9109545

SCHEMBL9109545

CNc1ncccc1-c1noc(C(Cc2ccc(C)cc2)c2cccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 6/20 0.35
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
KDM4E B2RXH2 5/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
ALOX12 P18054 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
FFAR1 O14842 1/20 0.34
MAPK1 P28482 3/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL9109790 0.90 MAPT (0.36) MAPTPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9108399 0.84 MAPT (0.39) MAPTPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9110386 0.79 MAPT (0.44) MAPTPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9110631 0.78 TSHR (0.47) MAPTPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9105460 0.75 MAPT (0.36) MAPTPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL15667218 0.74 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL9109831 0.74 PTPN1 (0.42) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9110402 0.74 PTPN1 (0.33) MAPTPOLBCYP3A4CYP2D6TSHR
SCHEMBL9109979 0.74 PTPN1 (0.43) MAPTPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9106229 0.74 MAPT (0.41) MAPTPOLBSMN1; SMN2L3MBTL1TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP claimed
US-8697733-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-04-15 US claimed
US-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-12-19 US claimed
CN-103338770-A Novel pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 CN claimed
US-8492410-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US claimed
US-20130150411-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US claimed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
EP-2646027-B1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
US-8697733-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-04-15 US disclosed
US-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. 2013-12-19 US disclosed
CN-103338770-A Novel pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 CN disclosed
US-8492410-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-07-23 US disclosed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US disclosed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US disclosed
US-8399492-B2 Pyridine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-03-19 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
WO-2012074719-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO 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 (3 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-20130150411-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MAPT 2922/4885POLB 4644/4885SMN1; SMN2 3214/4885
US-20130338195-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MAPT 2922/4885POLB 4644/4885SMN1; SMN2 3214/4885
US-20120142736-A1 NOVEL PYRIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 MAPT 2922/4885POLB 4644/4885SMN1; SMN2 3214/4885

“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.