SCHEMBL13722982

SCHEMBL13722982

CC(C)C/C=C/c1ccc(-c2cccc(N)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.44
NOS3 P29474 4/20 0.38
NOS1 P29475 3/20 0.38
ASIC3 Q9UHC3 1/20 0.36
TRPV3 Q8NET8 1/20 0.33
LARS1 Q9P2J5 1/20 0.32
MCHR1 Q99705 1/20 0.32
NOS2 P35228 1/20 0.32
HTR2A P28223 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13749373 0.84 ASIC3 (0.39) IDH1NOS3NOS1ASIC3MCHR1
SCHEMBL13722766 0.79 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL13026632 0.78 CYP2E1 (0.39) HTR2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL13723564 0.75 HDAC1 (0.39) KDM4EMAPT
SCHEMBL13722707 0.75 DPP4 (0.51) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL10130908 0.74 GRM4 (0.50) IDH1NOS3NOS1MCHR1NOS2
SCHEMBL13026633 0.72 PRF1 (0.40) MCHR1KDM4EALDH1A1MAPT
SCHEMBL13723082 0.72 PTGS1 (0.36)
SCHEMBL10130760 0.72 IDH1 (0.46) IDH1NOS3NOS1ASIC3TRPV3
SCHEMBL13722734 0.71 PRF1 (0.44) MCHR1

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-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 US disclosed
US-20090209547-A1 C-8 HALOGENATED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-08-20 US 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-20090209547-A1 C-8 HALOGENATED MACROLIDES CYP2C8, CCR8, CXCL8 IDH1 3129/4885NOS3 2967/4885NOS1 3799/4885

“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.