SCHEMBL12376720

SCHEMBL12376720

CC(C)NC(=O)CN(C)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.57
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
DPP4 P27487 1/20 0.44
PREP P48147 1/20 0.44
FAP Q12884 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACACB O00763 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KDM1A O60341 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
SCHEMBL13368574 0.86 F2 (0.54) F2HDAC6HDAC1MEN1KMT2A
SCHEMBL2565715 0.81 F2 (0.51) F2HDAC6HDAC1DPP4PREP
SCHEMBL2565712 0.80 F2 (0.50) F2HDAC6HDAC1DPP4PREP
SCHEMBL12231007 0.79 TDP1 (0.62) F2MEN1KMT2ATDP1ALDH1A1
SCHEMBL13306912 0.78 KMT2A (0.47) F2HDAC6HDAC1DPP4PREP
SCHEMBL8241799 0.78 CACNA1H (0.56) MEN1KMT2AALDH1A1
SCHEMBL12561256 0.77 HDAC1 (0.55) F2HDAC6HDAC1MEN1KMT2A
SCHEMBL2282162 0.77 KMT2A (0.53) F2HDAC6HDAC1DPP4PREP
SCHEMBL19370673 0.77 MEN1 (0.48) F2MEN1KMT2ATDP1
SCHEMBL11606625 0.75 ALDH1A1 (0.55) F2HDAC6HDAC1DPP4PREP

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 14 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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO 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 (5 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 F2 2280/4885HDAC6 2467/4885HDAC1 1968/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 F2 691/4885HDAC6 2092/4885HDAC1 2198/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK F2 1163/4885HDAC6 2768/4885HDAC1 2631/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 F2 691/4885HDAC6 2092/4885HDAC1 2198/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 F2 1870/4885HDAC6 2652/4885HDAC1 2058/4885

“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.