SCHEMBL6658643

SCHEMBL6658643

CCOC(=O)N(c1cc(N)c(F)cc1Br)S(=O)(=O)CC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 1/20 0.32
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL6663679 0.81 CYP1A2 (0.39) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6660581 0.81 MEN1 (0.38) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6659090 0.80 TLR4 (0.38) MAPTRAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6661549 0.77 CA1 (0.35) KMT2A
SCHEMBL21050037 0.70 ALDH1A1 (0.49) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL14999835 0.68 KMT2A (0.40) KDM4ESMN1; SMN2KMT2A
SCHEMBL7044903 0.68
SCHEMBL7044900 0.68
SCHEMBL6664642 0.67 CYP1A2 (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31520822 0.63 LMNA (0.40) KDM4ENPC1MAPTRAB9ASMN1; SMN2

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-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 CNKSR1 3629/4885KDM4E 915/4885NPC1 4069/4885

“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.