SCHEMBL7880672

SCHEMBL7880672

O=C(NCc1nc(-c2ccccn2)n[nH]1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALOX15 P16050 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TP53 P04637 1/20 0.48
HPGDS O60760 2/20 0.46
KLKB1 P03952 2/20 0.43
KLK1 P06870 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNA3 P22001 1/20 0.43
KCNA5 P22460 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL3790857 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTTDP1KDM4E
SCHEMBL14311088 0.81 CDC7 (0.48) NAMPTTNKSTNKS2ROCK2GRK2
SCHEMBL27791622 0.74 POLB (0.62) SMN1; SMN2LMNATDP1KDM4ENPC1
SCHEMBL4454372 0.74 TNKS (0.53) SMN1; SMN2LMNAHTTTDP1KCNK3
SCHEMBL7416209 0.73 LMNA (0.50) SMN1; SMN2LMNAHTTL3MBTL1NAMPT
SCHEMBL505089 0.73 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTTDP1KDM4E
SCHEMBL13465239 0.73 HCAR2 (0.49) SMN1; SMN2LMNATDP1TP53KCNA5
SCHEMBL30689228 0.73 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTTDP1KDM4E
SCHEMBL31583736 0.72 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTL3MBTL1TNKS
SCHEMBL4031573 0.72 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTTDP1KDM4E

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
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
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 SMN1; SMN2 184/4885LMNA 4054/4885HTT 432/4885

“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.