SCHEMBL6103283

SCHEMBL6103283

O=C(O)CC1Cc2ccccc2[C@H]1N=C=S

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
PYGL P06737 9/20 0.34
FFAR1 O14842 1/20 0.33
NAAA Q02083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT5 O14744 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5708801 1.00 EGFR (0.35) EGFRPYGLFFAR1NAAAMTNR1A
SCHEMBL11287590 0.74 TSHR (0.49) EGFRPYGLMTNR1AMTNR1BMEN1
SCHEMBL11287585 0.74 TSHR (0.49) EGFRPYGLMTNR1AMTNR1BMEN1
SCHEMBL11291868 0.74 TSHR (0.49) EGFRPYGLMTNR1AMTNR1BMEN1
SCHEMBL8582012 0.73 SLC6A12 (0.41) EGFRPYGL
SCHEMBL4670580 0.72 OPRM1 (0.37)
SCHEMBL6102173 0.71 GABRA1 (0.40) MTNR1AMTNR1BGAA
SCHEMBL6102182 0.71 GABRA1 (0.40) MTNR1AMTNR1BGAA
SCHEMBL6102179 0.71 GABRA1 (0.40) MTNR1AMTNR1BGAA
SCHEMBL8296922 0.71 PYGL (0.41) PYGLMTNR1AMTNR1BMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040919-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2006-02-23 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-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 EGFR 2334/4885PYGL 3878/4885FFAR1 52/4885

“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.