SCHEMBL1781754

SCHEMBL1781754

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 7/20 1.00
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LDHA P00338 1/20 0.40
▸ LDHB P07195 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ PTK2B Q14289 1/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ SRPK1 Q96SB4 1/20 0.40
▸ CLK4 Q9HAZ1 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
SCHEMBL1779869 0.85 MAP1LC3B (1.00) MAP1LC3BHPGDALDH1A1POLBHTT
SCHEMBL1780581 0.84 MAP1LC3B (1.00) MAP1LC3BALDH1A1POLBHTTSMN1; SMN2
SCHEMBL21821985 0.84 MAP1LC3B (0.74) MAP1LC3BHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL1780317 0.83 MAP1LC3B (1.00) MAP1LC3BALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL21774003 0.81 MAP1LC3B (0.70) MAP1LC3BHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21821935 0.81 MAP1LC3B (0.68) MAP1LC3BKMT2AMEN1
SCHEMBL29582480 0.81 MAP1LC3B (0.68) MAP1LC3BKMT2AMEN1
SCHEMBL21821964 0.81 MAP1LC3B (0.71) MAP1LC3BALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL21821722 0.80 MAP1LC3B (0.71) MAP1LC3BALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL21822025 0.77 MAP1LC3B (0.63) MAP1LC3BHPGDALDH1A1HTTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284420-A1 APPLICATION OF POLYCYCLIC ARYL COMPOUND IN PREPARATION OF ANTIFUNGAL DRUG 暨南大学附属第一医院 2023-01-19 — — WO disclosed
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 886/4885ALDH1A1 1998/4885
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885HPGD 2830/4885ALDH1A1 3815/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885HPGD 2830/4885ALDH1A1 3815/4885

“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.

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