SCHEMBL505089

SCHEMBL505089

O=C(O)N(Cc1ccccc1)Cc1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALPL P05186 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGDS O60760 1/20 0.44
ROCK2 O75116 1/20 0.42
GRK2 P25098 1/20 0.42

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
SCHEMBL6439983 0.77 SMN1; SMN2 (0.55) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL4031573 0.76 SMN1; SMN2 (0.51) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL3790857 0.75 SMN1; SMN2 (0.53) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL30689181 0.75 SMN1; SMN2 (0.60) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL7880672 0.73 SMN1; SMN2 (0.48) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL3790859 0.71 SMN1; SMN2 (0.51) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL23153550 0.71 SMN1; SMN2 (0.58) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL825414 0.69 LMNA (0.63) SMN1; SMN2TDP1LMNANPC1RAB9A
SCHEMBL5451372 0.69 SMN1; SMN2 (0.55) SMN1; SMN2TDP1HTTLMNANPC1
SCHEMBL30689228 0.69 SMN1; SMN2 (0.58) SMN1; SMN2TDP1HTTLMNANPC1

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 2 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

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 184/4885TDP1 2077/4885HTT 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.