SCHEMBL3609583

SCHEMBL3609583

Cc1nn(C)c(Sc2cccc(O)c2)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 7/20 0.39
HSD17B2 P37059 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
NOD2 Q9HC29 1/20 0.34
HSD17B1 P14061 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL3617878 0.87 HSD17B2 (0.36) MAPTNPSR1HTTHPGDCYP1A2
SCHEMBL3612443 0.82 HSD17B2 (0.40) MAPTNPSR1HPGDCYP1A2CYP2C9
SCHEMBL3614801 0.82 NPSR1 (0.37) MAPTNPSR1HTTHPGDCYP1A2
SCHEMBL3600937 0.77 SMN1; SMN2 (0.52) MAPTNPSR1HPGDCYP1A2CYP2C9
SCHEMBL3608712 0.71 SMN1; SMN2 (0.39) MAPTHTTHPGDCYP1A2CYP2C9
SCHEMBL9416364 0.69 SMN1; SMN2 (0.48) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL9673204 0.69 HTT (0.50) MAPTNPSR1HTTCYP1A2CYP2C9
SCHEMBL9673208 0.69 HTT (0.50) MAPTNPSR1HTTCYP1A2CYP2C9
SCHEMBL3605577 0.68 FABP4 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL3610097 0.66 SMN1; SMN2 (0.39) MAPTHTTCYP1A2CYP2C9CYP2C19

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 MAPT 3754/4885NPSR1 2509/4885HTT 4008/4885

“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.