SCHEMBL6858124

SCHEMBL6858124

C[C@H](NC(=O)C=Cc1ccc(F)cc1F)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
KCNQ2 O43526 3/20 0.38
KCNQ3 O43525 2/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6858127 1.00 TDP1 (0.41) TDP1KCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL6626261 1.00 TDP1 (0.41) TDP1KCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL6858123 1.00 TDP1 (0.41) TDP1KCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL6851510 0.84 TDP1 (0.62) TDP1KCNQ2KCNQ3LMNACYP3A4
SCHEMBL6851504 0.84 TDP1 (0.62) TDP1KCNQ2KCNQ3LMNACYP3A4
SCHEMBL6851507 0.84 TDP1 (0.62) TDP1KCNQ2KCNQ3LMNACYP3A4
SCHEMBL6489820 0.81 ROCK1 (0.44) CYP3A4CYP2C9KMT2A
SCHEMBL6487452 0.81 ROCK1 (0.44) CYP3A4CYP2C9KMT2A
SCHEMBL6487454 0.81 ROCK1 (0.44) CYP3A4CYP2C9KMT2A
SCHEMBL6202933 0.81 ROCK1 (0.44) CYP3A4CYP2C9KMT2A

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
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 TDP1 4537/4885KCNQ2 6/4885KCNQ3 11/4885

“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.