SCHEMBL12059166

SCHEMBL12059166

Cc1cccc(-c2ccc3c(=O)n4c(nc3c2)CCC2(CC4)OCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HCRTR1 O43613 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.41
NLRP3 Q96P20 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL12059383 0.91 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059604 0.90 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL6922755 0.88 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059378 0.88 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059784 0.87 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059607 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059792 0.86 RAB9A (0.42) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059594 0.86 RAB9A (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059375 0.85 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL12059143 0.85 TDP1 (0.47) ALDH1A1KDM4EHPGDL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 SMN1; SMN2 636/4885ALDH1A1 1721/4885KDM4E 2003/4885

“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.