SCHEMBL505519

SCHEMBL505519

COc1cccc(-c2nc3c(o2)CCC(c2ncccc2C#N)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
GRM5 P41594 3/20 0.42
PDE10A Q9Y233 3/20 0.42
NPC1 O15118 5/20 0.37
PKM P14618 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
TP53 P04637 3/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL505735 0.93 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EMAPTCASP3
SCHEMBL505267 0.90 GRM5 (0.44) RAB9ASMN1; SMN2KDM4EMAPTGRM5
SCHEMBL505117 0.88 GRM5 (0.46) RAB9ASMN1; SMN2KDM4EMAPTGRM5
SCHEMBL505041 0.87 GRM5 (0.45) RAB9ASMN1; SMN2GRM5PDE10ANPC1
SCHEMBL505401 0.86 GRM5 (0.44) RAB9ASMN1; SMN2KDM4EMAPTGRM5
SCHEMBL10285529 0.86 GRM5 (0.44) GRM5
SCHEMBL505666 0.85 GRM5 (0.56) RAB9ASMN1; SMN2KDM4EMAPTGRM5
SCHEMBL7880996 0.84 RAB9A (0.43) RAB9ASMN1; SMN2KDM4EMAPTCASP3
SCHEMBL7880502 0.84 RAB9A (0.42) RAB9ASMN1; SMN2KDM4EMAPTCASP3
SCHEMBL10250544 0.84 GRM5 (0.42) RAB9ASMN1; SMN2MAPTGRM5NPC1

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
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
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 RAB9A 1722/4885SMN1; SMN2 184/4885KDM4E 2855/4885

“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.