SCHEMBL1780581

SCHEMBL1780581

CN(C)C=C1C(=O)CC(c2ccc(F)cc2)CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 7/20 1.00
ALPL P05186 1/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIM1 P11309 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
ATM Q13315 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
SCHEMBL1779869 0.85 MAP1LC3B (1.00) MAP1LC3BMEN1KMT2APOLBLMNA
SCHEMBL21821985 0.84 MAP1LC3B (0.74) MAP1LC3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL1781754 0.84 MAP1LC3B (1.00) MAP1LC3BMEN1KMT2APOLBLMNA
SCHEMBL1780317 0.83 MAP1LC3B (1.00) MAP1LC3BMEN1KMT2ALMNASMN1; SMN2
SCHEMBL21821722 0.83 MAP1LC3B (0.71) MAP1LC3BMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL21774003 0.81 MAP1LC3B (0.70) MAP1LC3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL21821964 0.81 MAP1LC3B (0.71) MAP1LC3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL21821945 0.77 MAP1LC3B (0.63) MAP1LC3BKMT2ALMNATDP1SMN1; SMN2
SCHEMBL21822025 0.77 MAP1LC3B (0.63) MAP1LC3BMEN1KMT2ALMNAL3MBTL1
SCHEMBL21822054 0.76 MAP1LC3B (0.68) MAP1LC3BMEN1KMT2ASMN1; SMN2MAPT

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 726/4885ALPL 4428/4885MEN1 4302/4885
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885ALPL 4739/4885MEN1 2306/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885ALPL 4739/4885MEN1 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.