SCHEMBL12376670

SCHEMBL12376670

CC(C)NC(=O)COCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MMP2 P08253 1/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
NLRP1 Q9C000 1/20 0.44
POLB P06746 1/20 0.43
CNR2 P34972 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL3301559 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL28447659 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAARAB9APOLB
SCHEMBL12848458 0.82 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1L3MBTL1HPGDNLRP1
SCHEMBL12561399 0.82 POLB (0.62) CA1CA2CA9MMP2ALDH1A1
SCHEMBL13115726 0.79 ALDH1A1 (0.50) CA1CA2CA9MMP2ALDH1A1
SCHEMBL14206068 0.79 CA1 (0.51) CA1CA2CA9MMP2ALDH1A1
SCHEMBL18885276 0.78 CNR2 (0.67) ALDH1A1GAAL3MBTL1RAB9AHTT
SCHEMBL13101597 0.78 MAPT (0.65) CA1CA2CA9MMP2ALDH1A1
SCHEMBL8248742 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1GAAL3MBTL1RAB9A
SCHEMBL1154850 0.77 ALDH1A1 (0.54) CA1CA2CA9MMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC SMN1; SMN2 2264/4885CA1 2610/4885CA2 1829/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK SMN1; SMN2 1569/4885CA1 2953/4885CA2 2400/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 SMN1; SMN2 1840/4885CA1 1648/4885CA2 1762/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 SMN1; SMN2 1817/4885CA1 3514/4885CA2 2628/4885

“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.