SCHEMBL6673267

SCHEMBL6673267

C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.76
LMNA P02545 2/20 0.64
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
KCNQ3 O43525 1/20 0.61
KCNQ2 O43526 1/20 0.61
CYP19A1 P11511 1/20 0.61
MMP1 P03956 8/20 0.57
MMP2 P08253 8/20 0.57
MMP9 P14780 8/20 0.57
NOS2 P35228 1/20 0.54
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6673269 1.00 TDP1 (0.76) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6673273 1.00 TDP1 (0.76) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL27898809 0.87 TDP1 (1.00) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL3380973 0.87 TDP1 (1.00) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL3380975 0.87 TDP1 (1.00) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL3380977 0.87 TDP1 (1.00) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL28755618 0.85 TDP1 (0.83) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6858130 0.83 TDP1 (0.71) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6858133 0.83 TDP1 (0.71) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6858135 0.83 TDP1 (0.71) TDP1LMNACYP1A2CYP3A4CYP2C9

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
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
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 TDP1 4537/4885LMNA 899/4885CYP1A2 1264/4885

“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.