SCHEMBL12059604

SCHEMBL12059604

O=c1c2ccc(-c3ccccc3)cc2nc2n1CCC1(CC2)OCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 6/20 0.46
CYP1A2 P05177 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
BCHE P06276 1/20 0.46
CFTR P13569 1/20 0.46
ALOX15 P16050 1/20 0.46
ACHE P22303 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GOPC Q9HD26 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 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
SCHEMBL12059383 0.90 SMN1; SMN2 (0.45) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059786 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059371 0.90 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059556 0.90 RAB9A (0.43) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059166 0.90 SMN1; SMN2 (0.42) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059378 0.90 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL6922755 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059228 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059591 0.88 MEN1 (0.38) ALDH1A1KDM4ECYP1A2L3MBTL1USP2
SCHEMBL12059787 0.88 MAPK1 (0.46) ALDH1A1KDM4EKMT2AMEN1HDAC6

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 ALDH1A1 1721/4885KDM4E 2003/4885CYP1A2 4540/4885

“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.