SCHEMBL1877896

SCHEMBL1877896

Cc1cnccc1C(N)=NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
SIRT3 Q9NTG7 1/20 0.47
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
MEN1 O00255 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
GAA P10253 3/20 0.36
TRPA1 O75762 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2470189 1.00 TDP1 (0.47) TDP1SIRT3CCNCCDK8L3MBTL1
SCHEMBL641364 0.85 TDP1 (0.61) TDP1SIRT3CCNCCDK8L3MBTL1
SCHEMBL641363 0.85 TDP1 (0.61) TDP1SIRT3CCNCCDK8L3MBTL1
SCHEMBL30422349 0.77 CCNC (0.41) TDP1SIRT3CCNCCDK8L3MBTL1
SCHEMBL30745583 0.77 GAA (0.45) TDP1SIRT3CCNCCDK8L3MBTL1
SCHEMBL30422058 0.77 GAA (0.45) TDP1SIRT3CCNCCDK8L3MBTL1
SCHEMBL29269618 0.77 LOXL2 (0.41) TDP1SIRT3L3MBTL1KDM4EALDH1A1
SCHEMBL29269621 0.77 CCNC (0.41) TDP1SIRT3CCNCCDK8L3MBTL1
SCHEMBL30422182 0.77 LOXL2 (0.41) TDP1SIRT3L3MBTL1KDM4EALDH1A1
SCHEMBL30421963 0.77 CCNC (0.41) TDP1SIRT3CCNCCDK8L3MBTL1

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
EP-2498611-B1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SÀRL (CH) 2018-01-10 EP disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 US disclosed
US-20130196966-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-08-01 US disclosed
US-8357706-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-22 US disclosed
EP-2498611-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Receptos, Inc. (US) 2012-09-19 EP disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
WO-2011060389-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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 (4 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 TDP1 2683/4885SIRT3 1848/4885CCNC 4654/4885
US-20130196966-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 TDP1 3598/4885SIRT3 3125/4885CCNC 3001/4885
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 TDP1 3598/4885SIRT3 3125/4885CCNC 3001/4885
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 TDP1 3603/4885SIRT3 3125/4885CCNC 3008/4885

“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.