SCHEMBL504964

SCHEMBL504964

C=CCC=CCCCNC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.64
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
FAAH O00519 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
FOLH1 Q04609 3/20 0.46
MAPT P10636 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL6204298 0.89 TGM2 (0.71) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL3656920 0.84 HTT (0.68) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL485753 0.83 TGM2 (0.66) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL735886 0.82 HTT (0.68) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL22163638 0.82 TGM2 (0.61) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.81 HTT (0.81) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL7064121 0.81 TGM2 (0.63) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL28612192 0.81 HTT (0.67) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL7064126 0.81 TGM2 (0.63) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL17752539 0.80 TGM2 (0.66) TGM2HTTLMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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 (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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 TGM2 301/4885HTT 432/4885LMNA 4054/4885

“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.