SCHEMBL21676110

SCHEMBL21676110

O=C/C=C/c1cc(Br)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ERN1 O75460 1/20 0.41
▸ GPR183 P32249 1/20 0.40
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ NFE2L2 Q16236 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TRPA1 O75762 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ XDH P47989 1/20 0.32
▸ AMY1A P0DUB6 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
SCHEMBL21676103 0.85 GPR183 (0.40) ERN1GPR183CDK4CCND1NFE2L2
SCHEMBL27802616 0.85 GPR183 (0.40) ERN1GPR183CDK4CCND1NFE2L2
SCHEMBL31182057 0.80 NFE2L2 (0.57) ERN1CDK4CCND1NFE2L2LMNA
SCHEMBL706361 0.80 NFE2L2 (0.57) ERN1CDK4CCND1NFE2L2LMNA
SCHEMBL706360 0.80 NFE2L2 (0.57) ERN1CDK4CCND1NFE2L2LMNA
SCHEMBL30037767 0.79 ERN1 (0.57) SMN1; SMN2ERN1GPR183DGAT1ALDH1A1
SCHEMBL18699 0.79 ERN1 (0.57) SMN1; SMN2ERN1GPR183DGAT1ALDH1A1
SCHEMBL29525291 0.79 ERN1 (0.57) SMN1; SMN2ERN1GPR183DGAT1ALDH1A1
SCHEMBL22039183 0.78 ERN1 (0.42) ERN1CDK4CCND1NFE2L2LMNA
SCHEMBL18255048 0.77 NFE2L2 (0.40) ERN1CDK4CCND1NFE2L2LMNA

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 SMN1; SMN2 1794/4885ERN1 2104/4885GPR183 1482/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 SMN1; SMN2 1951/4885ERN1 1447/4885GPR183 1408/4885

“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.

Send feedback