SCHEMBL6662688

SCHEMBL6662688

O=S(=O)(Nc1ccc(F)cc1Br)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
SLC40A1 Q9NP59 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL7594380 0.85 KEAP1 (0.62) KEAP1NFE2L2KMT2AMEN1TSHR
SCHEMBL5801171 0.83 LMNA (0.61) KEAP1NFE2L2KMT2AMEN1TSHR
SCHEMBL2766342 0.81 METAP2 (0.64) KEAP1NFE2L2KMT2AMEN1CA1
SCHEMBL22315132 0.81 MEN1 (0.67) KEAP1NFE2L2KMT2AMEN1TSHR
SCHEMBL6394653 0.80 GRM4 (0.57) KEAP1NFE2L2KMT2AMEN1TSHR
SCHEMBL5731180 0.79 ALDH1A1 (0.58) KEAP1KMT2AMEN1SLC40A1CA1
SCHEMBL6815813 0.78 MCL1 (0.47) KEAP1SLC40A1
SCHEMBL29561320 0.78 CA1 (0.50) KMT2AMEN1TSHRCA1CA2
SCHEMBL27713304 0.77 HTR6 (0.58) KMT2AMEN1SLC40A1CA1CA2
SCHEMBL7595505 0.76 KEAP1 (0.59) KEAP1NFE2L2KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244615-B1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2004-08-11 EP claimed
US-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-01-23 US claimed
EP-1244615-B1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2004-08-11 EP disclosed
US-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-01-23 US disclosed
EP-1244615-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES Bayer Aktiengesellschaft (DE) 2002-10-02 EP disclosed
WO-2001047873-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 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-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates DDT, PFAS, DAO KEAP1 390/4885NFE2L2 549/4885KMT2A 841/4885

“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.