SCHEMBL238922

SCHEMBL238922

O=[N+]([O-])N=C(NCc1cnc(Cl)s1)NC(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG4B Q9Y4P1 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL238921 1.00 RECQL (0.37) RECQLMAPTPOLBGAAKDM4E
SCHEMBL8198326 0.88 MAPT (0.42) RECQLMAPTPOLBGAAKDM4E
Clothianidine SCHEMBL14273626 0.84 RECQL (0.39) RECQLMAPTPOLBGAAKDM4E
Clothianidine SCHEMBL237824 0.84 RECQL (0.39) RECQLMAPTPOLBGAAKDM4E
Clothianidine SCHEMBL2413061 0.84 RECQL (0.39) RECQLMAPTPOLBGAAKDM4E
Clothianidine SCHEMBL21214 0.84 RECQL (0.39) RECQLMAPTPOLBGAAKDM4E
SCHEMBL8659276 0.82 RECQL (0.38) RECQLMAPTPOLBGAAKDM4E
Clothianidine SCHEMBL15380758 0.82 RECQL (0.38) RECQLMAPTPOLBGAAKDM4E
SCHEMBL8659282 0.82 RECQL (0.38) RECQLMAPTPOLBGAAKDM4E
SCHEMBL13240173 0.81 RECQL (0.42) RECQLMAPTPOLBGAAKDM4E

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-8293733-B2 Oil dispersions of nAChR binding neonicotinoids GAT MICROENCAPSULATION AG (AT) 2012-10-23 US disclosed
US-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS GAT MICROENCAPSULATION AG (AT) 2012-01-05 US disclosed
EP-2225940-A1 Oil dispersions of nAChR binding neonicotinoids GAT Microencapsulation AG (AT) 2010-09-08 EP 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-20120004104-A1 OIL DISPERSIONS OF nAChR BINDING NEONICOTINOIDS CHRND, ITGAM, CHRM2 RECQL 3472/4885MAPT 3809/4885POLB 3841/4885

“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.