SCHEMBL178514

SCHEMBL178514

CCOc1ccc(C(C)NC)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
ACACB O00763 12/20 0.54
ACACA Q13085 1/20 0.53
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8285884 0.85 ACACB (0.56) ACACBACACA
SCHEMBL23209638 0.82 NQO1 (0.58) NQO1ACACBACACALMNAHPGD
SCHEMBL683602 0.79 NQO1 (0.67) NQO1ACACBACACAKMT2AMEN1
SCHEMBL12203937 0.79 NQO1 (0.67) NQO1ACACBACACAHPGDALDH1A1
SCHEMBL8286103 0.78 NQO1 (0.54) NQO1ACACBACACALMNAKMT2A
SCHEMBL17790170 0.78 TP53 (0.49) ACACBACACALMNAALDH1A1
SCHEMBL17790232 0.78 TP53 (0.49) ACACBACACALMNAALDH1A1
SCHEMBL17790207 0.78 TP53 (0.49) ACACBACACALMNAALDH1A1
SCHEMBL13462356 0.77 CA1 (0.56) ACACBALDH1A1KMT2AMEN1
SCHEMBL327954 0.77 CA1 (0.56) ACACBALDH1A1KMT2AMEN1

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-3215510-B1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2023-06-07 EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8470813-B2 Thiazoline and oxazoline derivatives and their methods of use ABBVIE INC. (US) 2013-06-25 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO disclosed
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-7683084-B2 Thiazoline and oxazoline derivatives and their methods of use ABBOTT LABORATORIES (US) 2010-03-23 US disclosed
EP-2038278-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-03-25 EP disclosed
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-20 US disclosed
WO-2008002956-A2 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 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 (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-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A NQO1 362/4885ACACB 3593/4885ACACA 3261/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 NQO1 1314/4885ACACB 456/4885ACACA 278/4885
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use OXA1L, CYP3A7, ABAT NQO1 223/4885ACACB 452/4885ACACA 779/4885
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE OXA1L, CYP3A7, ABAT NQO1 223/4885ACACB 452/4885ACACA 779/4885

“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.