SCHEMBL21729526

SCHEMBL21729526

C=C(C)c1cc(F)c(C)cc1N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CD44 P16070 1/20 0.31
CYP1A2 P05177 1/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 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
SCHEMBL24697160 0.92 IKBKE (0.30) TSHRCYP3A4MAPK1IKBKETBK1
SCHEMBL23012643 0.85 IKBKE (0.32) IKBKETBK1
SCHEMBL19346345 0.83 CYP3A4 (0.46) TSHRCYP3A4MAPK1CD44
SCHEMBL18609035 0.81 TSHR (0.36) TSHR
SCHEMBL21729549 0.79 SLC6A2 (0.33) TSHRCYP3A4MAPK1SLC6A2SLC6A4
SCHEMBL937859 0.76 KEAP1 (0.50) CYP3A4CYP1A2
SCHEMBL20681154 0.74 FADS1 (0.33) SLC6A4CD44
SCHEMBL24800954 0.74
SCHEMBL18618399 0.73 HDAC1 (0.33)
SCHEMBL405476 0.73 CD44 (0.48) TSHRCYP3A4MAPK1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106288-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2022-04-07 US disclosed
EP-3344599-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 EP disclosed
WO-2020035466-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO 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-20220106288-A1 NOVEL SULFONEUREA COMPOUNDS NLRP3, NLRP1, PYCARD TSHR 3120/4885CYP3A4 139/4885MAPK1 3261/4885

“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.