SCHEMBL6921545

SCHEMBL6921545

O=c1c2ccc(-c3ccc(F)cc3)cc2ncn1Cc1ccco1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.65
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 7/20 0.53
HPGD P15428 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
GRK2 P25098 2/20 0.47
GRK1 Q15835 1/20 0.47
HSD17B10 Q99714 6/20 0.45
LMNA P02545 5/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 4/20 0.42
PKM P14618 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
MAPK10 P53779 1/20 0.42
TP53 P04637 2/20 0.42
HDAC3 O15379 1/20 0.41

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
SCHEMBL2053657 0.86 STAT3 (0.61) STAT3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6921467 0.81 STAT3 (0.70) STAT3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL12059006 0.76 RAB9A (0.54) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL6921950 0.74 MAPK14 (0.47) ALDH1A1GRK2GRK1GAAHDAC3
SCHEMBL6922249 0.73 MAPT (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1GRK2
SCHEMBL6921393 0.70 KDM4E (0.56) ALDH1A1KDM4EHPGDRAB9AHSD17B10
SCHEMBL5312149 0.70 HDAC3 (0.61) KDM4EHPGDSMN1; SMN2GRK2GRK1
SCHEMBL14478795 0.69 PDE5A (0.65) HPGDSMN1; SMN2GRK2GRK1PKM
SCHEMBL6277525 0.69 MCHR1 (0.53) ALDH1A1GRK2GRK1HDAC3HDAC4
SCHEMBL6922028 0.68 SLC2A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A

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
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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 STAT3 1243/4885ALDH1A1 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.