SCHEMBL21675992

SCHEMBL21675992

O=C/C=C/c1cc(Cl)c(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
XDH P47989 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38

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
SCHEMBL11039433 0.82 ALDH1A1 (0.44) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18345932 0.80 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18345930 0.80 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18345531 0.78 XDH (0.48) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL14989926 0.78 XDH (0.48) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18346049 0.77 ALDH1A1 (0.44) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL2487812 0.77 ALDH1A1 (0.44) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL6904240 0.77 ALDH1A1 (0.52) ALDH1A1KDM4E
SCHEMBL21631073 0.75 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL3920843 0.75 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1

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
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 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 (2 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-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 ALDH1A1 381/4885TRPA1 2577/4885LMNA 2992/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 ALDH1A1 334/4885TRPA1 2709/4885LMNA 3352/4885

“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.