SCHEMBL6663679

SCHEMBL6663679

CCOC(=O)Nc1cc(N(C(=O)OCC)S(=O)(=O)CC)c(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNQ2 O43526 3/20 0.36
KCNQ4 P56696 3/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ5 Q9NR82 2/20 0.36
ALDH1A1 P00352 7/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F2R P25116 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.33

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
SCHEMBL6664642 0.87 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL6658643 0.81 CNKSR1 (0.32) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6660581 0.77 MEN1 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6663898 0.77 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL5848164 0.76 SMN1; SMN2 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL8190834 0.76 NLRP3 (0.41) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL24824133 0.73 SMN1; SMN2 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL29779313 0.73 SMN1; SMN2 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL2538042 0.73 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2
SCHEMBL7888743 0.73 RECQL (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ2

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 2 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

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 CYP1A2 79/4885CYP2C9 210/4885CYP2C19 550/4885

“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.