SCHEMBL6921979

SCHEMBL6921979

O=c1c2ccc(-c3cccc(F)c3)cc2nc2n1CCOC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.39
GRM5 P41594 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SLC2A1 P11166 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37

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
SCHEMBL6920765 0.90 RAB9A (0.43) RAB9ANPC1POLBALDH1A1SMN1; SMN2
SCHEMBL9994522 0.84 GRM5 (0.40) GRM5RAB9ANPC1TDP1L3MBTL1
SCHEMBL6923330 0.82 KDM4E (0.58) RAB9ANPC1HSD17B10TDP1MAPT
SCHEMBL6921643 0.81 MEN1 (0.57) RAB9ANPC1POLBHSD17B10TDP1
SCHEMBL12059543 0.81 CYP3A4 (0.40) GRM5RAB9ANPC1POLBHSD17B10
SCHEMBL6921583 0.81 RAB9A (0.43) RAB9ANPC1HSD17B10TDP1MAPT
SCHEMBL6922377 0.80 LMNA (0.41) RAB9ANPC1SMN1; SMN2
SCHEMBL12059799 0.80 BCL2A1 (0.39) RAB9ANPC1HSD17B10TDP1ALDH1A1
SCHEMBL6922292 0.80 RAB9A (0.38) GRM5RAB9ANPC1HSD17B10TDP1
SCHEMBL6920903 0.79 ALDH1A1 (0.47) RAB9ANPC1HSD17B10TDP1ALDH1A1

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 PRKDC 4309/4885GRM5 1/4885RAB9A 1387/4885

“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.