SCHEMBL4516422

SCHEMBL4516422

O=C(c1ccccc1)N(F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRA2C P18825 1/20 0.46
MLYCD O95822 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
CES1 P23141 3/20 0.44
CES2 O00748 2/20 0.44
ALDH1A1 P00352 2/20 0.44
DAO P14920 1/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.42
HSD11B1 P28845 1/20 0.41
NR1H3 Q13133 2/20 0.41
NR1H2 P55055 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
SCHEMBL27403016 0.86 RAB9A (0.40) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL1646511 0.86 RAB9A (0.40) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL4741531 0.78 NPSR1 (0.50) L3MBTL1TDP1RAB9ASMN1; SMN2NPSR1
SCHEMBL956511 0.78 CES1 (0.50) L3MBTL1TDP1RAB9ASMN1; SMN2KDM4E
SCHEMBL14752641 0.77 HDAC1 (0.60) L3MBTL1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL10937900 0.76 L3MBTL1 (0.53) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL6960658 0.76 NPSR1 (0.48) L3MBTL1TDP1RAB9ASMN1; SMN2NPSR1
SCHEMBL1003807 0.76 NPSR1 (0.61) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C
SCHEMBL18690253 0.76 CES1 (0.48) L3MBTL1TDP1RAB9ASMN1; SMN2KDM4E
SCHEMBL133668 0.74 KDM4E (0.67) L3MBTL1TDP1RAB9ASMN1; SMN2ADRA2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146352-A Idelalisib intermediate and preparation method thereof 上海医药工业研究院 2016-11-23 CN disclosed
CN-106146411-A (S) preparation method of-2-(1-amino-propyl)-5-fluoro-3-phenyl-3H-quinazoline-4-one 上海医药工业研究院 2016-11-23 CN disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT L3MBTL1 387/4885TDP1 816/4885RAB9A 3773/4885

“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.