SCHEMBL1779869

SCHEMBL1779869

Cc1ccc(C2CC(=O)C(=CN(C)C)C(=O)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 11/20 1.00
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL21821985 0.85 MAP1LC3B (0.74) MAP1LC3BHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1780581 0.85 MAP1LC3B (1.00) MAP1LC3BMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1781754 0.85 MAP1LC3B (1.00) MAP1LC3BHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1780317 0.85 MAP1LC3B (1.00) MAP1LC3BMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21774003 0.83 MAP1LC3B (0.70) MAP1LC3BHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL21821964 0.82 MAP1LC3B (0.71) MAP1LC3BMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21821722 0.81 MAP1LC3B (0.71) MAP1LC3BMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL26525145 0.81 MAP1LC3B (0.70) MAP1LC3BHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL21795165 0.81 MAP1LC3B (0.68) MAP1LC3BHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL21821615 0.79 MAP1LC3B (0.66) MAP1LC3BHPGDMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-12-20 US disclosed
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-04 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 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 (3 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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 MAP1LC3B 726/4885HPGD 886/4885MEN1 4302/4885
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885HPGD 2830/4885MEN1 2306/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885HPGD 2830/4885MEN1 2306/4885

“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.