SCHEMBL505548

SCHEMBL505548

N#Cc1nccnc1C1CCc2oc(-c3cccc(Cl)c3)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 7/20 0.40
HPGD P15428 7/20 0.40
KDM4E B2RXH2 7/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GRM5 P41594 2/20 0.36
PIM1 P11309 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL505401 0.88 GRM5 (0.44) ALOX15KMT2AMEN1ALDH1A1HPGD
SCHEMBL505502 0.87 GRM5 (0.45) KMT2AALDH1A1HPGDKDM4ENPC1
SCHEMBL7881578 0.85 GPR119 (0.36) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL7877183 0.85 GPR119 (0.36) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL505085 0.80 GRM5 (0.38) ALOX15ALDH1A1HPGDKDM4ELMNA
SCHEMBL505082 0.79 NPC1 (0.45) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL10250549 0.79 TP53 (0.45) ALDH1A1HPGDKDM4ELMNANPC1
SCHEMBL505041 0.77 GRM5 (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL505117 0.77 GRM5 (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL10285529 0.77 GRM5 (0.44) GRM5

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 ALOX15 1420/4885KMT2A 1661/4885MEN1 3592/4885

“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.