SCHEMBL6920903

SCHEMBL6920903

O=c1c2ccc(-c3ccc(F)cc3)cc2nc2n1CCOCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
BCHE P06276 1/20 0.41
CFTR P13569 1/20 0.41
ALOX15 P16050 1/20 0.41
ACHE P22303 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GOPC Q9HD26 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRM2 Q14416 2/20 0.40

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 0.89 RAB9A (0.43) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6922872 0.85 ALDH1A1 (0.45) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6922253 0.84 RAB9A (0.63) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL12059556 0.81 RAB9A (0.43) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6920773 0.81 LMNA (0.49) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL12059540 0.81 NPC1 (0.47) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6922246 0.80 NPC1 (0.47) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL12059389 0.79 RAB9A (0.45) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6921266 0.79 RAB9A (0.50) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6921979 0.79 PRKDC (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1

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 ALDH1A1 1721/4885RAB9A 1387/4885NPC1 811/4885

“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.