SCHEMBL2589274

SCHEMBL2589274

O=C1Nc2ccccc2C1=C1C(=O)Nc2cc3c(cc21)NC(=O)C3=C1C(=O)Nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.57
ACVR1 Q04771 2/20 0.57
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
PDGFRA P16234 1/20 0.57
FER P16591 1/20 0.57
LTK P29376 1/20 0.57
CDK8 P49336 1/20 0.57
DYRK1B Q9Y463 1/20 0.57
NTRK1 P04629 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
CSNK1G1 Q9HCP0 1/20 0.47
CHEK1 O14757 1/20 0.47
EPHX2 P34913 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL2589272 1.00 LRRK2 (0.57) LRRK2ACVR1MAOAMAOBPDGFRA
Isoindigo SCHEMBL12386233 0.91 LRRK2 (0.67) LRRK2ACVR1MAOAMAOBPDGFRA
Isoindigo SCHEMBL9899736 0.91 LRRK2 (0.67) LRRK2ACVR1MAOAMAOBPDGFRA
Isoindigo SCHEMBL9899740 0.91 LRRK2 (0.67) LRRK2ACVR1MAOAMAOBPDGFRA
Isoindigo SCHEMBL29349649 0.91 LRRK2 (0.67) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL10295294 0.83 LRRK2 (0.48) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL11890573 0.83 CHEK1 (0.66) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL11890574 0.83 FLT3 (0.54) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL10295101 0.83 LRRK2 (0.48) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL11027116 0.83 CHEK1 (0.66) LRRK2ACVR1MAOAMAOBPDGFRA

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
EP-2567225-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS Virginia Tech Intellectual Properties, Inc. (US) 2013-03-13 EP claimed
WO-2011140215-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 WO claimed
US-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 US claimed
EP-2567225-B1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES INC (US) 2019-10-02 EP disclosed
US-20150241448-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2015-08-27 US disclosed
US-20150241448-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2015-08-27 US disclosed
US-9101573-B2 Lanthionine synthetase component C-like proteins as molecular targets for preventing and treating diseases and disorders VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2015-08-11 US disclosed
US-9101573-B2 Lanthionine synthetase component C-like proteins as molecular targets for preventing and treating diseases and disorders VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2015-08-11 US disclosed
EP-2567225-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS Virginia Tech Intellectual Properties, Inc. (US) 2013-03-13 EP disclosed
WO-2011140215-A2 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 WO disclosed
US-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2011-11-10 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 (1 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-20110275558-A1 LANTHIONINE SYNTHETASE COMPONENT C-LIKE PROTEINS AS MOLECULAR TARGETS FOR PREVENTING AND TREATING DISEASES AND DISORDERS LANCL2, ACSL1, LANCL1 LRRK2 518/4885ACVR1 431/4885MAOA 4644/4885

“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.