SCHEMBL3922253

SCHEMBL3922253

CCOC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
MAPT P10636 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSP90AA1 P07900 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
NPC1 O15118 8/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
STAT1 P42224 1/20 0.55
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
GAA P10253 2/20 0.54
ALPL P05186 1/20 0.54
HTT P42858 1/20 0.51
PCSK9 Q8NBP7 1/20 0.51
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 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
SCHEMBL14872038 0.86 NPC1 (0.62) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL18003727 0.85 NPC1 (0.53) KDM4EMAPTMEN1KMT2AHSP90AA1
SCHEMBL7604821 0.85 NPC1 (0.61) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL146339 0.85 SMN1; SMN2 (0.69) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL3919868 0.83 KDM4E (0.70) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL15108968 0.83 NPC1 (0.61) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL2055189 0.78 NPC1 (0.53) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4298781 0.77 RARA (0.64) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL4301852 0.77 KMT2A (0.54) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL4667327 0.77 NPC1 (0.68) KDM4EMAPTMEN1KMT2ANPC1

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
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD KDM4E 2426/4885MAPT 4866/4885MEN1 4796/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD KDM4E 2460/4885MAPT 4863/4885MEN1 4770/4885

“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.