SCHEMBL3617878

SCHEMBL3617878

C=Cc1c(C)nn(C)c1Sc1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
KDR P35968 1/20 0.33
NT5E P21589 1/20 0.32
POLB P06746 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL3609583 0.87 MAPT (0.43) HSD17B2SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3612443 0.82 HSD17B2 (0.40) HSD17B2SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3600937 0.77 SMN1; SMN2 (0.52) HSD17B2SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3605577 0.77 FABP4 (0.38) SMN1; SMN2MEN1KMT2ATDP1LMNA
SCHEMBL3614801 0.72 NPSR1 (0.37) HSD17B2SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3603064 0.70 MAPT (0.32) SMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL9673204 0.69 HTT (0.50) SMN1; SMN2NPSR1MEN1KMT2ATDP1
SCHEMBL9673208 0.69 HTT (0.50) SMN1; SMN2NPSR1MEN1KMT2ATDP1
SCHEMBL31281467 0.65 CA12 (0.58) HSD17B2SMN1; SMN2TDP1LMNARET
SCHEMBL2239504 0.65 CA12 (0.58) HSD17B2SMN1; SMN2TDP1LMNARET

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R HSD17B2 163/4885SMN1; SMN2 4515/4885NPSR1 2509/4885

“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.