SCHEMBL7066940

SCHEMBL7066940

FC(F)(F)Oc1ccc2[nH]c(Br)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 6/20 0.43
CBFB Q13951 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
KIF11 P52732 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9674984 0.81 NPSR1 (0.53) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL11903454 0.81 KDM4E (0.47) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL2108293 0.81 RUNX1 (0.43) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL5683128 0.81 NPC1 (0.48) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL1193332 0.81 RUNX1 (0.43) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL18190876 0.81 RUNX1 (0.43) RUNX1CBFBTRPV1KIF11KDM4E
Hydrochloric Acid SCHEMBL9765811 0.79 NPC1 (0.49) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL30109002 0.78 RUNX1 (0.41) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL20320804 0.78 RUNX1 (0.41) RUNX1CBFBTRPV1KIF11KDM4E
SCHEMBL18659785 0.78 TRPV1 (0.50) RUNX1CBFBTRPV1KIF11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844998-B1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER CROPSCIENCE AG (DE) 2003-04-23 EP disclosed
US-20030027842-A1 Halogenobenzimidazoles ASSMANN LUTZ (DE) 2003-02-06 US disclosed
US-6387939-B1 PLANT SAFENING AGNETS; FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6268508-B1 FOR CROP PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed
US-6160001-A Halobenzimidazoles and their use as microbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
US-6127547-A FOR CROP PROTECTION; SUCH AS 2-BROMO-6,6-DIFLUORO(1,3)DIOXOLO(4,5-F)BENZIMIDAZOLE BAYER AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
US-6020354-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-01 US disclosed
EP-0844998-A1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER AG (DE) 1998-06-03 EP disclosed
WO-1997006171-A1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 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-20030027842-A1 Halogenobenzimidazoles MSR1, MRPS23, CBR1 RUNX1 1179/4885CBFB 1508/4885TRPV1 2279/4885

“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.