SCHEMBL2776207

SCHEMBL2776207

O=C(O)c1ccc(N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
GAA P10253 2/20 0.61
POLB P06746 2/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TTR P02766 1/20 0.58
RARA P10276 1/20 0.55
RARB P10826 1/20 0.55
RARG P13631 1/20 0.55
ERAP1 Q9NZ08 2/20 0.53
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL3643489 1.00 KDM4E (0.61) KDM4EGAAPOLBHSD17B10TDP1
SCHEMBL3526351 0.98 TTR (0.59) KDM4EGAAPOLBHSD17B10TDP1
SCHEMBL2870314 0.92 KDM4E (0.53) KDM4EGAAPOLBHSD17B10TDP1
SCHEMBL3533360 0.85 TTR (0.59) KDM4EGAAPOLBHSD17B10TTR
SCHEMBL20577940 0.85 TTR (0.55) KDM4EGAAPOLBHSD17B10TDP1
SCHEMBL28000110 0.85 TTR (0.59) KDM4EGAAPOLBHSD17B10TDP1
SCHEMBL580653 0.85 TTR (0.55) KDM4EGAAPOLBHSD17B10TDP1
SCHEMBL580818 0.85 TTR (0.55) KDM4EGAATTRTSHR
SCHEMBL1397423 0.85 ALDH1A1 (0.55) KDM4EGAAHSD17B10L3MBTL1TAAR1
SCHEMBL17386600 0.85 TAAR1 (0.56) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104478821-B Oxadiazole diaryl compounds 默克雪兰诺有限公司 2016-09-28 CN disclosed
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
CN-101815707-B oxadiazole diaryl compounds MERCK SERONO S.A. (CH) 2015-09-02 CN disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
CN-104478821-A Oxadiazole diaryl compounds MERCK SERONO SA 2015-04-01 CN disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-8889668-B2 Oxadiazole diaryl compounds MERCK SERONO SA (CH) 2014-11-18 US disclosed
US-20130109676-A1 Oxadiazole Diaryl Compounds MERCK SERONO SA (CH) 2013-05-02 US disclosed
EP-2193126-A1 OXADIAZOLE DIARYL COMPOUNDS Merck Serono S.A. (CH) 2010-06-09 EP disclosed
US-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043890-A1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
CN-100404528-C Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2008-07-23 CN disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
CN-1684951-A Novel pyrimidinamine derivatives and use thereof NOVARTIS AG (CH) 2005-10-19 CN disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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 (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-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD KDM4E 2764/4885GAA 1055/4885POLB 694/4885
US-20130109676-A1 Oxadiazole Diaryl Compounds OXA1L, RO60, SSB KDM4E 1265/4885GAA 4505/4885POLB 2049/4885

“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.