SCHEMBL6922253

SCHEMBL6922253

O=c1c2ccc(-c3ccc(F)cc3)cc2nc2n1CCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
LMNA P02545 3/20 0.63
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HDAC6 Q9UBN7 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
USP2 O75604 2/20 0.53
KDM4E B2RXH2 1/20 0.53
BCHE P06276 1/20 0.53
CFTR P13569 1/20 0.53
ALOX15 P16050 1/20 0.53
ACHE P22303 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL5506562 0.89 RAB9A (0.65) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL6921643 0.89 MEN1 (0.57) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL6920760 0.87 KMT2A (0.73) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL6921264 0.87 LMNA (0.53) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL6921266 0.87 RAB9A (0.50) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL6920297 0.86 RAB9A (0.57) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL5507733 0.85 RAB9A (0.65) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL31563000 0.85 RAB9A (0.65) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL6923330 0.85 KDM4E (0.58) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL6921491 0.85 RAB9A (0.58) RAB9ANPC1LMNAALDH1A1MEN1

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 RAB9A 1387/4885NPC1 811/4885LMNA 4613/4885

“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.