SCHEMBL3609830

SCHEMBL3609830

C=Cc1c(C)nn(C)c1Oc1cc(OCC(=O)NS(C)(=O)=O)c(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.37
LMNA P02545 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
SCN9A Q15858 3/20 0.35
BRD4 O60885 1/20 0.35
SCN5A Q14524 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2D6 P10635 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MGLL Q99685 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
SCHEMBL3617492 0.87 L3MBTL1 (0.39) LMNASMN1; SMN2TSHRCYP1A2CYP2C9
SCHEMBL3609386 0.86 SMN1; SMN2 (0.38) LMNASMN1; SMN2TSHRCYP1A2CYP2C9
SCHEMBL3602126 0.83 KMT2A (0.38) NR2F2LMNASMN1; SMN2TSHRMAPT
SCHEMBL3607949 0.82 SMN1; SMN2 (0.35) LMNASMN1; SMN2SCN9ASCN5ATSHR
SCHEMBL3607161 0.76 SMN1; SMN2 (0.40) NR2F2SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3606304 0.75 PPOX (0.40) LMNASMN1; SMN2TSHRCYP1A2CYP2C9
SCHEMBL3612119 0.75 SMN1; SMN2 (0.36) NR2F2SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3609770 0.75 SMN1; SMN2 (0.37) NR2F2SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3608916 0.75 KDM4E (0.39) NR2F2SMN1; SMN2TSHRCYP1A2CYP2C9
SCHEMBL3605072 0.75 KDM4E (0.39) NR2F2SMN1; SMN2TSHRCYP1A2CYP2C9

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 NR2F2 3834/4885LMNA 4306/4885SMN1; SMN2 4515/4885

“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.