SCHEMBL5114852

SCHEMBL5114852

CCOC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 3/20 0.46
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL31423182 1.00 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL26617566 0.90 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL30681975 0.90 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL30549003 0.86 CFTR (0.52) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL31423261 0.84 ALDH1A1 (0.50) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL29619390 0.83 ALOX15 (0.65) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL2139103 0.83 ALOX15 (0.65) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL5466480 0.81 MPL (0.44) ALDH1A1MAPTHPGDMEN1ALOX12
SCHEMBL6161066 0.81 ALOX15 (0.69) KDM4EL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL30237524 0.81 ALDH1A1 (0.55) KDM4EL3MBTL1ALDH1A1LMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US disclosed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 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 (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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 KDM4E 3202/4885L3MBTL1 2227/4885ALDH1A1 874/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 KDM4E 3202/4885L3MBTL1 2227/4885ALDH1A1 874/4885

“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.