SCHEMBL2587850

SCHEMBL2587850

CC(=NNC1=c2ccc(Cl)cc2=NC1=O)c1cc2ccccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
HPGD P15428 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
NT5E P21589 2/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MAOB P27338 5/20 0.48
MAOA P21397 2/20 0.48
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDR P35968 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL2587845 1.00 MAPT (0.57) MAPTCA12CA9CA1CA2
SCHEMBL2590916 0.76 MAOB (0.36) MAPTKDM4ENT5EALDH1A1MAOB
SCHEMBL28153425 0.72 MAPT (0.73) MAPTCA12CA9CA1CA2
SCHEMBL9670924 0.69 MAPT (0.72) MAPTCA12CA9CA1CA2
SCHEMBL9670927 0.69 MAPT (0.72) MAPTCA12CA9CA1CA2
SCHEMBL2587847 0.68 MAPT (0.51) MAPTCA12CA9CA1CA2
SCHEMBL8298413 0.68 MAOB (0.69) MAPTCA12CA9CA1CA2
SCHEMBL9668560 0.67 CA12 (0.67) MAPTCA12CA9CA1CA2
SCHEMBL16994328 0.67 CCNE1 (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28037533 0.66 KDR (0.71) MAPTCA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 MAPT 4166/4885CA12 1740/4885CA9 2107/4885

“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.