SCHEMBL2587847

SCHEMBL2587847

CC(=NNC1C(=O)Nc2cc(Cl)ccc21)c1cc2ccccc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NT5E P21589 2/20 0.48
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAOB P27338 5/20 0.45
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
KDR P35968 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAOA P21397 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2590919 0.76 MAOB (0.36) MAPTALDH1A1NT5EKDM4EMAOB
SCHEMBL28153425 0.71 MAPT (0.73) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL9670927 0.68 MAPT (0.72) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL9670924 0.68 MAPT (0.72) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL2587845 0.68 MAPT (0.57) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL2587850 0.68 MAPT (0.57) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL8298413 0.67 MAOB (0.69) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL9668560 0.66 CA12 (0.67) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL28037533 0.66 KDR (0.71) MAPTHPGDALDH1A1NT5EKDM4E
SCHEMBL28037531 0.65 KDR (0.55) MAPTHPGDALDH1A1NT5EKDM4E

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 4166/4885HPGD 4493/4885ALDH1A1 3626/4885

“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.