SCHEMBL3722688

SCHEMBL3722688

N#Cc1ccc(COCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
MAOB P27338 2/20 0.49
RAB9A P51151 3/20 0.48
CTBP2 P56545 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
MMP2 P08253 1/20 0.45
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
SMPD1 P17405 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
AKR1B1 P15121 1/20 0.43
CHRM3 P20309 1/20 0.43
GAA P10253 2/20 0.43
CYP2A6 P11509 1/20 0.42

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
SCHEMBL19002292 0.84 RAB9A (0.50) HTTMAOBRAB9ACTBP2EGLN1
SCHEMBL14762667 0.83 FFAR4 (0.59) HTTMAOBCTBP2MMP2MMP12
SCHEMBL3401155 0.80 LOXL2 (0.56) MAOBRAB9AEGLN1NPC1SMN1; SMN2
SCHEMBL3723396 0.80 FFAR1 (0.59) MAOBSMN1; SMN2FFAR4PTGDR2
SCHEMBL20665527 0.80 RAB9A (0.47) HTTMAOBRAB9AEGLN1NPC1
SCHEMBL18642577 0.79 FFAR4 (0.56) HTTMMP2MMP12MMP13FFAR4
SCHEMBL5040591 0.79 CA2 (0.56)
SCHEMBL11844391 0.78 GAA (0.51) HTTMAOBRAB9ACTBP2NPC1
SCHEMBL7062567 0.77 MAOB (0.69) MAOBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL21068905 0.77 HRH3 (0.43) RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831614-B Substituted benzodiazacyclo compound and its preparation method and use 清华大学 2020-07-28 CN disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A HTT 4539/4885MAOB 274/4885RAB9A 948/4885

“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.