SCHEMBL1202011

SCHEMBL1202011

CCOC(=O)Cc1ccc(N)c(OCC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
THRB P10828 1/20 0.45
G6PD P11413 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SYK P43405 1/20 0.41
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL3726422 0.86 ALDH1A1 (0.51) L3MBTL1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3660245 0.85 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1MAPTKDM4EMEN1
SCHEMBL1202564 0.85 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18524202 0.85 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL17316411 0.83 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL15055428 0.82 GAA (0.46) L3MBTL1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL13594700 0.81 FFAR4 (0.42) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13594698 0.81 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTNFKB1GAA
SCHEMBL1202371 0.81 LMNA (0.42) L3MBTL1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3661829 0.80 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 L3MBTL1 2100/4885ALDH1A1 1549/4885MAPT 11/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 L3MBTL1 2100/4885ALDH1A1 1549/4885MAPT 11/4885

“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.