SCHEMBL6858130

SCHEMBL6858130

COc1cccc([C@H](C)NC(=O)/C=C/c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
MMP1 P03956 3/20 0.62
MMP2 P08253 3/20 0.62
MMP9 P14780 3/20 0.62
LMNA P02545 1/20 0.60
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP19A1 P11511 1/20 0.58
CYP2C9 P11712 1/20 0.58
POLB P06746 2/20 0.58
MAOB P27338 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
BCHE P06276 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
EGFR P00533 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL6858135 1.00 TDP1 (0.71) TDP1MMP1MMP2MMP9LMNA
SCHEMBL6858133 1.00 TDP1 (0.71) TDP1MMP1MMP2MMP9LMNA
SCHEMBL6851510 0.84 TDP1 (0.62) TDP1MMP1MMP2MMP9LMNA
SCHEMBL6502176 0.84 TDP1 (0.62) TDP1LMNAKCNQ3KCNQ2CYP1A2
SCHEMBL6851507 0.84 TDP1 (0.62) TDP1MMP1MMP2MMP9LMNA
SCHEMBL6502179 0.84 TDP1 (0.62) TDP1LMNAKCNQ3KCNQ2CYP1A2
SCHEMBL6851504 0.84 TDP1 (0.62) TDP1MMP1MMP2MMP9LMNA
SCHEMBL3380975 0.84 TDP1 (1.00) TDP1MMP1MMP2MMP9LMNA
SCHEMBL3380977 0.84 TDP1 (1.00) TDP1MMP1MMP2MMP9LMNA
SCHEMBL3380973 0.84 TDP1 (1.00) TDP1MMP1MMP2MMP9LMNA

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 4537/4885MMP1 4844/4885MMP2 4470/4885

“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.