SCHEMBL3512342

SCHEMBL3512342

CC(CNC(=O)O)OCCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MME P08473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CTSB P07858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL29259157 0.81 HTT (0.44) SMN1; SMN2HTTALDH1A1CTSBTSHR
SCHEMBL3510081 0.79 TSHR (0.47) SMN1; SMN2HTTALDH1A1CTSBKMT2A
SCHEMBL27032017 0.77 TSHR (0.45) SMN1; SMN2HTTLMNAALDH1A1CTSB
SCHEMBL27032236 0.77 TSHR (0.45) SMN1; SMN2HTTLMNAALDH1A1CTSB
SCHEMBL27129558 0.77 TSHR (0.45) SMN1; SMN2HTTLMNAALDH1A1CTSB
SCHEMBL29101924 0.77 HTT (0.47) SMN1; SMN2HTTLMNAMMEALDH1A1
SCHEMBL38655715 0.77 TSHR (0.48) HTTMMEKMT2ATDP1TSHR
SCHEMBL22890912 0.77 TSHR (0.48) SMN1; SMN2HTTALDH1A1KMT2ATDP1
SCHEMBL26645664 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HTTLMNAALDH1A1KMT2A
SCHEMBL29026165 0.76 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNAMMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 SMN1; SMN2 974/4885HTT 2877/4885LMNA 2664/4885

“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.