SCHEMBL19974042

SCHEMBL19974042

Cn1c(I)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAOB P27338 1/20 0.34
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
GRM2 Q14416 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NR3C1 P04150 1/20 0.32
NPC1 O15118 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
SCHEMBL18136193 0.82 POLB (0.52) POLBALDH1A1KDM4EMAOBRAB9A
SCHEMBL20636715 0.81 POLB (0.48) POLBALDH1A1KDM4EMAOBRAB9A
SCHEMBL16593897 0.81 POLB (0.48) POLBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL18506073 0.78 POLB (0.46) POLBALDH1A1KDM4EMAOBRAB9A
SCHEMBL22901345 0.78 POLB (0.52) POLBALDH1A1KDM4ERAB9AKMT2A
SCHEMBL20189025 0.77 POLB (0.46) POLBALDH1A1KDM4EMAOBRAB9A
SCHEMBL31141582 0.77 POLB (0.48) POLBALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL23507228 0.76 POLB (0.50) POLBALDH1A1SMN1; SMN2AGBL2DRD2
SCHEMBL19711951 0.76 POLB (0.47) POLBALDH1A1KDM4EMAOBRAB9A
SCHEMBL19711948 0.76 POLB (0.47) POLBALDH1A1KDM4EMAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512847-B1 PROCESS FOR THE PREPARATION OF HALOGENATED BICYCLES BAYER CROPSCIENCE AG (DE) 2022-03-30 EP disclosed
US-20190375766-A1 PROCESS FOR PREPARING HALOGENATED BICYCLIC SYSTEMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-12-12 US disclosed
EP-3512847-A1 METHOD FOR PRODUCING HALOGENATED BICYCLIC COMPOUNDS Bayer CropScience Aktiengesellschaft (DE) 2019-07-24 EP disclosed
WO-2018050515-A1 METHOD FOR PRODUCING HALOGENATED BICYCLIC COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 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-20190375766-A1 PROCESS FOR PREPARING HALOGENATED BICYCLIC SYSTEMS INTS6, POLR2H, NQO2 POLB 74/4885ALDH1A1 2681/4885KDM4E 1520/4885

“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.